Dipartimento di Chimica

Pubblicazioni

Sono qui elencate le pubblicazioni di docenti, ricercatori e dottorandi afferenti ai due indirizzi del dottorato di ricerca. Le pubblicazioni sono riportate in ordine alfabetico e divise per anno, a partire dal 1999.

2005:
A. SINICROPI, T. ANDRUNIOW, N. FERRE, BASOSI R., M. OLIVUCCI. (2005). Properties of the Emitting State of
the Green Fluorescent Protein resolved at the CASPT2//CASSCF/CHARMM Level. JOURNAL OF THE AMERICAN
CHEMICAL SOCIETY. vol. 127, pp. 11534-11535 ISSN: 0002-7863.

BASOSI R., G. DELLA LUNGA, R. POGNI. (2005). Copper Biomolecules in Solution. In S. S. EATON, G. R. EATON,
L. J. BERLINER. Biomedical EPR-Part A: Free Radicals, Metals, Medicine and Physiology. (pp. 385-416). : Kluwer
Academic Publishing (UNITED STATES).

R. POGNI, M. C. BARATTO, C. TEUTLOFF, S. GIANSANTI, F. J. RUIZ-DUENAS, T. CHOINOWSKI, K. PIONTEK, A. T.
MARTINEZ, F. LENDZIAN, BASOSI R. (2005). A Tryptophan Neutral Rdical in the Oxidized State of Versatile
Peroxidase from plerotus eryngii: a combined multi-frequency EPR and FT Study. JOURNAL OF BIOLOGICAL
CHEMISTRY. ISSN: 0021-9258.

R. POGNI, M. C. BARATTO, S. GIANSANTI, C. TEUTLOFF, J. VERDIN, B. VALDERRAMA, F. LENDZIAN, W. LUBITZ,
R. VAZQUEZ-DUHALT, BASOSI R. (2005). Tryptophan Based Radical in the Catalytic Mechanism of Versatile
Peroxidase from Bjerkandera adusta. BIOCHEMISTRY. vol. 44, pp. 4267-4274.

R. POGNI, M.C. BARATTO, S. GIANSANTI, R. VAZQUEZ-DUHALT, BASOSI R. (2004). Evidence of two long range
electron transfer pathways in the catalytic mechanism of versatile peroxidase from Bjerkandera adusta",.
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES. vol. 8, pp. 798 ISSN: 1088-4246.

M. PEREZ-BOADA, F. J. RUIZ-DUENAS, R. POGNI, BASOSI R., T. CHOINOWSKI, M. J. MARTINEZ, K. PIONTEK, A.
T. MARTINEZ. (2005). Versatile Peroxidase Oxidation of High Redox Potential Aromatic compounds:Site-directed
Mutagenesis, Spectroscopic and Crystallographic Investigation of three Long-Range Electron Transfer Pathways.
JOURNAL OF MOLECULAR BIOLOGY. vol. 354, pp. 385-402 ISSN: 0022-2836.

SINICROPI, F. BARBOSA, BASOSI R., B. GIESE, M. OLIVUCCI. (2005). Mechanism of the Norrish-Yang
Photocyclization Reaction of an Alanine Derivative in the Singlet State: Origin of the Chiral Memory Effect.
ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. vol. 44, pp. 2390-2393 ISSN: 1433-7851.

DEFAZIO S., TAMASI G., CINI R. (2005). A Molecular Orbital Study of C-H…Cl- and N-H…Cl- Hydrogen Bonds.
Inferences on Selected Metal Complexes and on Protein ClC Cl- Channels. COMPTES RENDUS CHIMIE. vol. 8, pp.
1584-1609 ISSN: 1631-0748.

TAMASI G., CHIASSERINI L., SAVINI L., SEGA A., CINI R. (2005). Structural study of ribonucleotide reductase
inhibitor hydrazones. Synthesis and X-ray diffraction analysis of a copper(II)-benzoylpyridine-2-quinolinyl
hydrazone complex. JOURNAL OF INORGANIC BIOCHEMISTRY. vol. 99, pp. 1347-1359 ISSN: 0162-0134.

BANCI L, BENVENUTI M, BERTINI I, CABELLI DE, CALDERONE V, FANTONI A, MANGANI S., MIGLIARDI M,
VIEZZOLI MS. (2005). From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed
Mutagenesis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. vol. 127, pp. 13287-13292 ISSN: 0002-7863.

BANCI L, BERTINI I, CALDERONE V, CRAMARO F, DEL CONTE R, FANTONI A, MANGANI S., QUATTRONE A,
VIEZZOLI MS. (2005). A Prokaryotic SOD Paralog Lacking Two Cu Ligands: From largely Unstructured in Solution
to Ordered in the Crystal. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
AMERICA. vol. 102, pp. 7541-7546 ISSN: 0027-8424.

BANCI L, BERTINI I, CIOFI-BAFFONI S, KATSARI E, KATSAROS N, KUBICEK K, MANGANI S. (2005). A copper(I)
protein possibly involved in the assembly of CuA center of bacterial cytochrome c oxidase. PROCEEDINGS OF THE
NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. vol. 102, pp. 3994-3999 ISSN: 0027-
8424.

BANCI L., BERTINI I., MANGANI S. (2005). Integration of XAS and NMR techniques for the structure
determination of metalloproteins. Examples fromthe study of copper transport proteins. JOURNAL OF
SYNCHROTRON RADIATION. vol. 12, pp. 94-97 ISSN: 0909-0495.

BERTINI I, CALDERONE V, COSENZA M, FRAGAI M, LEE YM, LUCHINAT C, MANGANI S., TERNI B, TURANO P.
(2005). Conformational variability of matrix metalloproteinases: Beyond a single 3D structure. PROCEEDINGS OF
THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. vol. 102, pp. 5334-5339 ISSN:
0027-8424.

CALDERONE V., DOLDERER B., HARTMANN H.J., ECHNER H., LUCHINAT C., DEL BIANCO C., MANGANI S., WESER
U. (2005). The Crystal Structure of Yeast Cu-Thionein: The Solution of a long lasting Enigma. PROCEEDINGS OF
THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA. vol. 102, pp. 51-56 ISSN: 0027-
8424.

A.FACCHINI, C.BELLIENI, MARCHETTINI N., F.PULSELLI. (2005). Relating pain intensity of newborns to onset of
nonlinear phenomena in cry recordings. PHYSICS LETTERS A. vol. 338(3-4), pp. 143-152 ISSN: 0375-9601.

G.BIOSA, M.MASIA, MARCHETTINI N., M.RUSTICI. (2005). A ternary nonequilibrium phase diagram for a closed
unstirred Belouvov-Zhabothinsky system. CHEMICAL PHYSICS. vol. 308(1-2), pp. 7-12 ISSN: 0301-0104.

S.BASTIANONI, MARCHETTINI N., F.M.PULSELLI, M.ROSINI. (2005). THE JOINT USE OF EXERGY AND EMERGY
AS INDICATORS OF ECOSYSTEMS PERFORMANCES. In R.COSTANZA, S.E.JORGENSEN AND F.L.XU EDS.
HANDBOOK OF ECOLOGICAL INDICATORS FOR ASSESSMENT FOR ECOSYSTEM HEALTH. (vol. 10, pp. 239-248). :
CRC PRESS.

S.BASTIANONI, MARCHETTINI N., R.RIDOLFI. (2005). QUANTIFYING POSSIBILE PATHWAYS OF SUSTAINABLE
DEVELOPMENT OF A TERRITORIAL SYSTEM. In E.TIEZZI, C.A.BREBBIA S.E.JORGENSEN, D. ALMORZA GOMAR
EDS. ECOSYSTEMS AND SUSTAINABLE DEVELOPMENT IV. (vol. 81, pp. 33-46). ISBN: 1-84564-013-6. WIT
TRANSACTIONS OF ECOLOGY AND ENVIRONMENT. SOUTHAMPTON: WIT PRESS (UNITED KINGDOM).

S.BASTIANONI, MARCHETTINI N., V.NICCOLUCCI, F.M.PULSELLI. (2005). Environmental accounting for the
lagoon of Venice and the case of fishing. ANNALI DI CHIMICA. vol. 95(3-4), pp. 143-152 ISSN: 0003-4592.

S.BASTIANONI, S.N.NIELSEN, MARCHETTINI N., S.E.JORGENSEN. (2005). Use of thermodynamic functions for
expressing some relevant aspects of sustainability. INTERNATIONAL JOURNAL OF ENERGY RESEARCH. vol. 29,
pp. 53-64 ISSN: 0363-907X.

S.BORSA, MARCHETTINI N., A.PIZZIGALLO, F.M.PULSELLI. (2005). THERMODYNAMIC OPTIMOZATION OF THE
USE OF NATURAL RESOURCES: AN AGROALIMENTARY PRODUCTION IN A CHIANTI FARM (ITALY). In E.TIEZZI,
C.A.BREBBIA S.E.JORGENSEN, D. ALMORZA GOMAR EDS. IN ECOSYSTEMS AND SUSTAINABLE DEVELOPMENT
IV. (vol. 81, pp. 239-3043). ISBN: 1-84564-013-6. WIT TRANSACTIONS OF ECOLOGY AND ENVIRONMENT.
SOUTHAMPTON: WIT PRESS (UNITED KINGDOM).

A. C. I. PIZZIGALLO, R. RIDOLFI, TIEZZI E. (2005). An EMergy-Based Compared Analysis as Useful Tool to Make
a Sustainability Hierarchy of Agro-Ecosystems. Advances in Ecosystems Research VII. (vol. 7, pp. 17-21).

A. DONATI, F. M. PULSELLI, F. RICCOBONO, L. DALLAI, R. FRANCOVICH, TIEZZI E. (2005). Origin of Arsenic
Pollution in Southwest Tuscany: Comparison of Fluvial Sediments. ANNALI DI CHIMICA. vol. 95 (3-4), pp. 161-
166 ISSN: 0003-4592.

A. FACCHINI, C. MOCENNI, TIEZZI E., A. VICINO. (2005). Nonlinear time series analysis of ecological data
collected in the Lagoon of Orbetello, Italy. Ecosystems and Sustainable Development V. Advances in Ecological
Sciences. (vol. 22, pp. 105-113).

A. FACCHINI, H. KANTZ, TIEZZI E. (2005). Recurrence plot analysis of nonstationary data: The understanding of
curved patterns. PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS. vol. 72 ISSN:
1539-3755.

F. M. PULSELLI, F. CIAMPALINI, TIEZZI E., C. ZAPPIA. (2005). The Index of Sustainable Economic Welfare
(ISEW) for a Local Authority: A Case Study in Italy. QUADERNI DEL DIPARTIMENTO DI ECONOMIA POLITICA. vol.
449 ISSN: 1720-9668.

F. ROSSI, F. PULSELLI, TIEZZI E., S. BASTIANONI, M. RUSTICI. (2005). Effects of the electrolytes in a closed
unstirred Belousov–Zhabotinsky medium. CHEMICAL PHYSICS. vol. 313, pp. 101-106 ISSN: 0301-0104.

N. MARCHETTINI, E. P. B. TIEZZI, TIEZZI E. (2005). Goal Functions in Ecological Modelling. Advances in
Ecosystems Research VII. (vol. 7, pp. 6-10).

N. MARCHETTINI, F. M. PULSELLI, TIEZZI E. (2005). Sources and sinks: emission and absorption of greenhouse
gas, a case study in Italy. Air Pollution XIII. Thirteenth International Conference on Modelling, Monitoring and
Management of A. (pp. 3-10).

R. M. PULSELLI, F. M. PULSELLI, C. RATTI, TIEZZI E. (2005). Dissipative structures for understanding cities:
resource flows and mobility patterns. Conference BECON 2005. (pp. 271-279).

R. M. PULSELLI, F. M. PULSELLI, C. RATTI, TIEZZI E. (2005). Dynamics and evolution of urban patterns: the
evidence of the Mobile Landscape project. Ecosystems and Sustainable Development V. Advances in Ecological
Sciences. (vol. 22, pp. 597-603).

S. BASTIANONI, D. CAMPBELL, L. SUSANI, TIEZZI E. (2005). The solar transformity of oil and petroleum natural
gas. ECOLOGICAL MODELLING. vol. 186, pp. 212-220 ISSN: 0304-3800.

S. BORSA, M. P. PICCHI, TIEZZI E. (2005). Ecodynamic Models for Sustainability Analysis. Advances in
Ecosystems Research VII. (vol. 7, pp. 1-5).

TIEZZI E. (2005). Ecodynamics: the quest for evolutionary physics. Ecosystems and Sustainable Development V.
Advances in Ecological Sciences. (vol. 22, pp. 3-13).

TIEZZI E., C. A. BREBBIA, S. E. JORGENSEN, D. ALMORZA GOMAR. (2005). Ecosystems and Sustainable
Development V. Advances in Ecological Sciences. Di AUTORI VARI. (vol. 22). SOUTHAMPTON: WIT Press (UNITED
KINGDOM).

TIEZZI E., N. MARCHETTINI, E. B. TIEZZI. (2005). Information and Negentropy; a basis for Ecoinformatics. Third
Conference on the Foundations of Information Science.

TIEZZI E., N. MARCHETTINI, F. M. PULSELLI, S. BASTIANONI. (2005). The Scientific Bases of Sustainability:
Methods, Measures and Correlations. Statistic and Environment. (pp. 173-181).

A.ALBINATI, F.FABRIZI DE BIANI, P.LEONI, L.MARCHETTI, M.PASQUALI, S.RIZZATO, ZANELLO P. (2005). REDOX
CONTROL OF LIGHT-INDUCED PLATINUM-CLUSTER-TO-IRON CHARGE TRANSFER IN A BIS
(FERROCENYLETHYNYL)-SUBSTITUTED HEXANUCLEAR PLATINUM DERIVATIVE. ANGEWANDTE CHEMIE.
INTERNATIONAL EDITION. vol. 44, pp. 5701-5705 ISSN: 1433-7851.

D.A.LOGINOV, D.V.MURATOV, P.V.PETROVSKII, Z.A.STARIKOVA, M.CORSINI, F.LASCHI, F.DE BIANI FABRIZI,
ZANELLO P., AND A.R.KUDINOV. (2005). REACTIONS OF THE B-PHENYLBOROLE COMPLEX CpRh(_5-C4H4BPh)
WITH METALLOELECTROPHILES [(RING)M]2+. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. pp. 1737-1746
ISSN: 1434-1948.

F.FABRIZI DE BIANI, A.IENCO, F.LASCHI, P.LEONI, F.MARCHETTI, L.MARCHETTI, C.MEALLI, ZANELLO P. (2005).
FORMATION AND CHARACTERIZATION OF THE HEXANUCLEAR PLATINUM CLUSTER [Pt6(m-PBut2)4(CO)6]
(CF3SO3)2 THROUGH STRUCTURAL, ELECTROCHEMICAL, AND COMPUTATIONAL ANALYSES. JOURNAL OF THE
AMERICAN CHEMICAL SOCIETY. vol. 127, pp. 3076-3089 ISSN: 0002-7863.

N.MANTOVANI, M.BRUGNATI, L.GONSALVI, E.GRIGIOTTI, F.LASCHI, L.MARVELLI, M.PERUZZINI, G.REGINATO,
R.ROSSI, ZANELLO P. (2005). SYNTHESIS, CHARCATRIZATION, AND ELECTROCHEMICAL BEHAVIOR OF MONOAND
BIMETALLIC RUTHENIUM AND RHENIUM ALLENYLIDENES BEARING MULTICONJUGATED ORGANIC SPACERS.
ORGANOMETALLICS. vol. 24, pp. 405-418 ISSN: 0276-7333.

2004:
A. FRAGOSO, M.C. BARATTO, A. DIAZ, Y. RODRIGUEZ, R. POGNI, BASOSI R., R. CAO. (2004). Electron
Paramagnetic resonance studies on copper(II)-cyclodextrin systems. DALTON TRANSACTIONS. pp. 1456-1460
ISSN: 1477-9226.

BALOCCO C., PAPESCHI S., GRAZZINI G., BASOSI R. (2004). Using exergy to analyze sustainability of a built up
urban area. ECOLOGICAL ECONOMICS. vol. 48, pp. 231-244 ISSN: 0921-8009.

BASOSI R., C. BALOCCO, S. PAPESCHI, G. GRAZZINI. (2004). Using exergy to analyze sustainability of a built up
urban area. ECOLOGICAL ECONOMICS. vol. 48/2, pp. 231-244 ISSN: 0921-8009.

BUSI E., BASOSI R., PONTICELLI F., OLIVUCCI M. (2004). An Innovative Approach to the Design of Plastic
Antibodies: Molecular Imprinting Via a non Polar Transition State Analogue. JOURNAL OF MOLECULAR CATALYSIS
A-CHEMICAL. vol. 217, pp. 31-36 ISSN: 1381-1169.

D. SAMPEDRO, A. MIGANI, A. PEPI, E. BUSI, BASOSI R., L. LATTERINI, F. ELISEI, S. FUSI, F. PONTICELLI, V.
ZANIRATO, M. OLIVUCCI. (2004). Design and photochemical characterization of a biomimetic light-driven Z/E
switcher. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. vol. 126, pp. 9349-9359 ISSN: 0002-7863.

E. BUSI, L. TERZUOLI, BASOSI R., B. PORCELLI, E. MARINELLO. (2004). EPR Spin Trapping of a Radical
Intermediate in the Urate Oxidase Reaction. NUCLEOSIDES, NUCLEOTIDES & NUCLEIC ACIDS. vol. 23, pp. 1131-
1134 ISSN: 1525-7770.

LIPOWSKA M., CINI R., TAMASI G., XU X., TAYLOR A.T., MARZILLI L.G. (2004). Complexes Having the fac-{M
(CO)3}+ Core (M = Tc, Re) Useful in Radiopharmaceuticals: X-ray and NMR Structural Characterization and
Density Functional Calculations of Species Containing Two sp3 N Donors and One sp3 O Donor. INORGANIC
CHEMISTRY. vol. 43, pp. 7774-7783 ISSN: 0020-1669.

TAMASI G., CINI R., INTINI F.P., SIVO M.F., NATILE G. (2004). Unusual Reactivity at a Platinum Center
Determined by the Ligands and Solvent Environment. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. vol. 43,
pp. 5081-5084 ISSN: 1433-7851.

BANCI L., BERTINI I., CANTINI F., CIOFI-BAFFONI S., GONNELLI L., MANGANI S. (2004). Solution structure of
Cox11, a novel type of beta-immunoglobulin-like fold involved in CuB site formation of cytochrome c oxidase.
JOURNAL OF BIOLOGICAL CHEMISTRY. vol. 279, pp. 34833-34839 ISSN: 0021-9258.

CALDERONE V, FORLEO C, BENVENUTI M, THALLER M.C, ROSSOLINI G.M, MANGANI S. (2004). The first
structure of a bacterial class B acid phosphatase reveals further structural heterogeneity among phosphatases of
the haloacid dehalogenase fold. JOURNAL OF MOLECULAR BIOLOGY. vol. 335, pp. 761-773 ISSN: 0022-2836.

I. BERTINI, V. CALDERONE, M. FRAGAI, C. LUCHINAT, MANGANI S., TERNI B. (2004). Crystal structure of the
catalytic domain of human matrix metalloproteinase 10. JOURNAL OF MOLECULAR BIOLOGY. vol. 336, pp. 707-
716 ISSN: 0022-2836.

S. BENINI, W. R. RYPNIEWSKI, K. S. WILSON, MANGANI S., S. CIURLI. (2004). Molecular details of urease
inhibition by boric acid: insights into the catalytic mechanism. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.
vol. 126, pp. 3714-3715 ISSN: 0002-7863.

A.MAGNANI, MARCHETTINI N., S.RISTORI, C.ROSSI, F.ROSSI, M.RUSTICI, O.SPALLA, E.TIEZZI. (2004).
Chemical waves and pattern formation in the 1,2-dipalmitol-sn-glycero-3-posphocoline/water lamellar system.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. vol. 126(37), pp. 11406-11407 ISSN: 0002-7863.

A. DONATI, F. ROSSI, TIEZZI E. (2004). Inquinamento da Arsenico nella Toscana meridionale: studio
comparativo tra i fiumi delle Colline Metallifere. VIII Congresso Nazionale di Chimica dell’Ambiente e dei Beni
Culturali. (pp. 149).

A. DONATI, G. PROTANO, F. RICCOBONO, L. DALLAI, R. FRANCOVICH, F. ROSSI, N. MARCHETTINI, TIEZZI E.
(2004). L’influenza dei siti archeominerari nella geochimica della Toscana maridionale. VIII Congresso Nazionale
di Chimica dell’Ambiente e dei Beni Culturali. (pp. 148).

A. DONATI, G. PROTANO, F. RICCOBONO, L. DALLAI, R. FRANCOVICH, F. ROSSI, TIEZZI E. (2004). Influence of
ancient mining settlements on Arsenic pollution in the southwest of Tuscany. Brownfield Sites II. Assesment,
Rehabilitation and Development. (pp. 183-189).

A. MAGNANI, N. MARCHETTINI, S. RISTORI, C. ROSSI, F. ROSSI, M. RUSTICI, O. SPALLA, TIEZZI E. (2004).
Chemical Waves and Pattern Formation in the 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine/Water Lamellar
System. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. vol. 126 (37), pp. 11406-11407 ISSN: 0002-7863.

F. CIAMPALINI, F. M. PULSELLI, TIEZZI E. (2004). Wealth and welfare: integrating methodologies for the
environmental assessment of a territory. VIII Congresso Nazionale di Chimica dell’Ambiente e dei Beni Culturali.
(pp. 100).

M. BAGLIANI, E. DA VILLA, M. GATTOLIN, V. NICCOLUCCI, T. PATTERSON, TIEZZI E. (2004). The ecological
footprint analysis for the Province of Venice and the relevance of tourism. The Sustainable City III. (pp. 123-
131).

N. MARCHETTINI, F. M. PULSELLI, R. M. PULSELLI, TIEZZI E. (2004). Sustainability and mountain regions: a case
study of greenhouse gas inventory. Air Pollution XII. Twelfth International Conference on Modelling, Monitoring
and Management of Air P. (pp. 385-394).

R. M. PULSELLI, G. C. MAGNOLI, N. MARCHETTINI, TIEZZI E. (2004). Dissipative structures, complexity and
strange attractors: keynotes for a new eco-aesthetics. Design and Nature II. Comparing Design in Nature with
Science and Engineering. (pp. 381-387). M. W. Collins, C.A. Brebbia editors; WIT Press, Southampton (UK).

S. BASTIANONI, A. FACCHINI, TIEZZI E. (2004). Uso di Recurrence Plot per l’individuazione di transizioni nella
dinamica di sistemi dissipativi. XXXIII Congresso Nazionale Società Chimica Italiana - Divisione di Chimica Fisica.

S. BASTIANONI, F. M. PULSELLI, TIEZZI E. (2004). Sustainable development at local level and "anthropic
resilience": sustainability indicators from the SPIn-ECO project. The Sustainable City III. (pp. 133-142).

S. BASTIANONI, F. M. PULSELLI, TIEZZI E. (2004). The problem of assigning responsibility for greenhouse gas
emissions. ECOLOGICAL ECONOMICS. vol. 49, pp. 253-257 ISSN: 0921-8009.

TIEZZI E., N. MARCHETTINI, C.A. BREBBIA, L.C. WADHWA. (2004). The Sustainable City III. Di AUTORI VARI.
SOUTHAMPTON: WIT Press (UNITED KINGDOM).

A.FUMAGALLI, P.ULIVIERI, M.COSTA, O.CRISPU, R.DELLA PERGOLA, F.FABRIZI DE BIANI, F.LASCHI, ZANELLO P.,
P.MACCHI, AND A.SIRONI. (2004). ELECTRON TRANSFER AND CO ADDITION OF POLYNITRIDO COBALT
CARBONYL CLUSTERS: PARALLEL PATHWAYS FOR CONVERSION OF THE [Co10N2(CO)19]4- ANION TO THE
NOVEL [Co11N2(CO)21]3- ANION. INORGANIC CHEMISTRY. vol. 43, pp. 2125-2131 ISSN: 0020-1669.

C.FEMONI, M.C.IAPALUCCI, G.LONGONI, P.H.SVENSSON, ZANELLO P., AND F.FABRIZI DE BIANI. (2004).
SYNTHESIS AND CHARACTERISATION OF n3-OCTAHEDRAL [Ni36Pd8(CO)48]6- AND [Ni35Pt9(CO)48]6-
CLUSTERS DISPLAYING UNEXPECTED SURFACE SEGREGATION OF Pt ATOMS AND MOLECULAR AND/OR CRYSTAL
SUBSTITUTIONAL Ni/Pd AND Ni/Pt DISORDER. CHEMISTRY-A EUROPEAN JOURNAL. vol. 10, pp. 2318-2326 ISSN:
0947-6539.

E.V.MUTSENECK, D.A.LOGINOV, D.S.PEREKALIN, Z.A.STARIKOVA, D.G.GOLOVANOV, P.V.PETROVSKII, ZANELLO
P., M.CORSINI, F.LASCHI, AND A.R.KUDINOV. (2004). (TETRAMETHYLCYCLOBUTADIENE)COBALT COMPLEXES
WITH FIVE-ELECTRON CARBO- AND HETEROCYCLIC LIGANDS. ORGANOMETALLICS. vol. 23, pp. 5944-5957
ISSN: 0276-7333.

F.FABRIZI DE BIANI, M.CORSINI, ZANELLO P., H.YAO, M.E.BLUHM, AND R.N.GRIMES. (2004). ELECTRONIC
PROPERTIES OF MONONUCLEAR, DINUCLEAR, AND POLYNUCLEAR COBALTACARBORANES: ELECTROCHEMICAL
AND SPECTROELECTROCHEMICAL STUDIES. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. vol. 126, pp.
11360-11369 ISSN: 0002-7863.

M.C.ARAGONI, M.ARCA, M.CAIRONI, C.DENOTTI, F.A.DEVILLANOVA, E.GRIGIOTTI, F.ISAIA, F.LASCHI,
V.LIPPOLIS, D.NATALI, L.PALA, M.SAMPIETRO, ZANELLO P. (2004). MONOREDUCED [M(R,R’timdt)2]-
DITHIOLENES (M = Ni, Pd, Pt; R,R’timdt = DISUBSTITUTED IMIDAZOLINE-2,4,5-TRITHIONE): SOLID STATE
PHOTOCONDUCTING PROPERTIES IN THE THIRD OPTICAL FIBER WINDOW. CHEMICAL COMMUNICATIONS. pp.
1882-1883 ISSN: 1359-7345.

M.D.THOMSON, M.NOVOSEL, H.G.ROSKOS, T.MULLER, M.SCHEIBITZ, M.WAGNER, F.FABRIZI DE BIANI, ZANELLO
P. (2004). ELECTRONIC STRUCTURE, PHOTOPHYSICS, AND RELAXATION DYNAMICS OF CHARGE TRANSFER
EXCITED STATES IN BORON-NITROGEN-BRIDGED FERROCENE-DONOR ORGANIC-ACCEPTOR COMPOUNDS.
JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES &
BIOPHYSICAL. vol. 108, pp. 3281-3291 ISSN: 1520-6106.

M.RAVERA, S.BARACCO, C.CASSINO, ZANELLO P., AND D.OSELLA. (2004). APPRAISAL OF THE REDOX
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P.MURA, M.CAMALLI, L.MESSORI, F.PICCIOLI, ZANELLO P., AND M.CORSINI. (2004). SYNTHESIS, STRUCTURAL
CHARACTERIZATION, SOLUTION CHEMISTRY, AND PRELIMINARY BIOLOGICAL STUDIES OF THE RUTHENIUM(III)
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V.C.GIBSON, N.J.LONG, R.J.LONG, A.J.P.WHITE, C.K.WILLIAMS, D.J.WILLIAMS, E.GRIGIOTTI, ZANELLO P.
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(ORGANYLTHIOLATO)FERROCENES. ORGANOMETALLICS. vol. 23, pp. 957-967 ISSN: 0276-7333.

W.SKIBAR, H.KOPACKA, K.WURST, C.SALZMANN, K.-H.ONGANIA, F.FABRIZI DE BIANI, ZANELLO P., AND
B.BILDSTEIN. (2004). a,w-DIFERROCENYL CUMULENE MOLECULAR WIRES. SYNTHESIS, SPECTROSCOPY,
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ZANELLO P., E.GRIGIOTTI. (2004). HOMOLEPTIC, MONONUCLEAR TRANSITION METAL COMPLEXES OF 1,2-
DITHIOLENES: UPDATING THEIR ELECTROCHEMICAL-TO-STRUCTURAL PROPERTIES. (pp. 3-70). In “Trends in
Inorganic Molecular Electrochemistry”, A.Pombeiro and C.Amatore, Eds. Marcel Dekker Inc. - Fontis Media S.A.

2003

Aldinucci C., Garcia J.B., Palmi M., Sgaragli G., Benocci A., Meini A., Pessina F., Rossi C., Bonechi C., Pessina G.: “The Effect of Strong Static Magnetic Field on Lymphocytes”, Bioelectromagnetics, 24 (2), 109-117 (2003).

Aldinucci C., Garcia J.B., Palmi M., Sgaragli G., Benocci A., Meini A., Pessina F., Rossi C., Bonechi C., Pessina G.: “The Effect of Exposure to High Flux Density Static and Pulsed Magnetic Fields on Lymphocyte Function”, Bioelectromagnetics, 00 (0), (2003). In press.

Arnesano F., Banci L., Bestini I., Mangani S., Thompsett A.R., “A redox switch in CopC: An intriguing copper trafficking protein which binds copper(I) and copper(II) at different sites”. (2003) Proc. Natl. Acad. Sciences USA (in press).

Banci L., Bertini I., Del Conte R., Mangani S., Meyer-Klaucke W., “X-ray Absorption and NMR Spectroscopic Studies of CopZ, a Copper Chaperone in Bacillus subtilis: The coordination properties of the copper ion”. (2003) Biochemistry (in press).

Bargigli S. and Ulgiati S. “Emergy and Life-Cycle Assessment of Steel Production in Europe”. In: Emergy Synthesis. Theory and Applications of Emergy Methodology – 2. M.T. Brown, H.T. Odum, D. Tilley, and S. Ulgiati (Editors), published by the Center for Environmental Policy, University of Florida, in press, 2003.

Bargigli S., Raugei M. and Ulgiati S., “An integrated thermodynamic and environmental assessment of natural gas, syngas and hydrogen production”. Energy. The International Journal, submitted, 2003.

Bastianoni S., Masia M., Pulselli F. and Rustici M., “Effects of the ionic strength in a closed unstirred Belusov-Zhabotinsky medium” submitted to Phisical Chemistry.

Bastianoni S., Pulselli F.M., Pulselli R.M. “Thermodynamic approach for territorial planning: different aspects of the sustainable use of resources and land. A case study from SPIn-Eco Project”, Ecosystems and Sustainable Development IV (E. Tiezzi, C.A. Brebbia, J.L. Usò eds.), WIT Press, Southampton, 2003, in press.

Bonechi C., Baglioni P., Donati A., Martini S. and Rossi C.: “Conformational rigidity in p-tert-Butylcalix[4]arene bis-crown derivative (Dc3, Dc4 and Dc5) adopting a cone conformation”, J. Phys. Chem. 2003 (submitted).

Bracchini L., Loiselle S., Bonechi C., Bastianoni S., Rossi C., “Spatial and temporal distribution of the attenuation of UV radiation and estimated photoinhibition in aquatic ecosystem”. Submitted Photochem. Photobio (2003).

Bracchini L., Loiselle S., Dattilo A.M., Picchi M.P., Rossi C., “Modelling the components of the vertical attenuation of ultraviolet radiation in a wetland lake ecosystem”, Submitted Ecological Modelling (2003).

Brown M.T., Odum H.T., Tilley D. and Ulgiati S. (Editors). “Emergy Synthesis. Theory and Applications of Emergy Methodology – 2”. The Center for Environmental Policy, University of Florida, Gainesville, FL, in press, 2003.

Dattilo A. M., Bracchini L., Carlini L., Loiselle S., Rossi C., “The effects of UV radiation on mortality of Artemia Salina Franciscana in naupliar and adult stages”. Submitted Photochem Photobiol (2003).

Della Lunga G., Pezzato M., Baratto M.C., Pogni R., Basosi R., “A new program based on Stochastic Liouville Equation for the analysis of Superhyperfine interaction in CW-EPR Spectroscopy”, Journal of Magnetic Resonance, submitted, 2003.

Facchini A., Bastianoni S., Marchettini N. and Rustici M., “Chaotic dynamics in the roar of the Cervus Elaphus corsicanus”, submitted to JASA.
Ferré N. and Olivucci M., “The peptide bond: pitfalls and drawbacks of the link atom scheme”. Theochem, 2003 in press.

Giannantoni C., Lazzaretto A., Macor A., Mirandola A., Stoppato A., Tonon S., Ulgiati S., “An Integrated Multicriteria (Energy, Emergy and Economics) Approach to the Analysis of Energy Conversion Systems”. Energy - The International Journal, in press, 2003.

Loiselle S.A., Bracchini L., Kansiime F., Ikiara M., Perrings C., Rossi C., “The wetlands of Lake Victoria, new approaches at understanding their regional and global importance” (accepted for ECOSUD 2003).

Loiselle S.A., Bracchini L., Picchi M.P., Dattilo A.M., Rossi C., “Examining the spatial and temporal distribution of the light environmental in a neotropical shallow”, (submitted to Aquatic Sciences 2003).

Mangani S., Meyer-Klaucke W., Moir A.J.G., Ranieri-Raggi M., Martini D., Raggi A., “Characterization of the Zn binding site of the HPRG protein associated with rabbit skeletal muscle AMP deaminase”. (2003) J. Biol. Chem. 278, 3176-3184.

Marchettini N., Panzieri M., Niccolucci V., Bastianoni S. and Borsa S., “Sustainability indicators for environmental performance and sustainability assessment of the productions of four fine Italian wines”. International Journal of Sustainable Development; 2003, in press.

Martini S., Bonechi C., Magnani A., Rossi M. and Corti P., “Nuclear Magnetic Resonance and Infrared Spectroscopy Combined Use as a Tool for Studying Recognition Processes between Amphenicolic Antibiotics and Albumin”, Magnetic Resonance in Chemistry, 2003 (in press). John Wiley & Sons, Chichester, Sussex, UK.

Mazzuoli S., Loiselle S., Hull V., Bracchini L. and Rossi C., “The analysis of the seasonal, spatial and compositional distribution of humic substances in a subtropical shallow lake ecosystem”, submitted Hydrobiologia (2003).

Migani A., Robb M.A. and Olivucci M., “Relationship between Photoisomerization Path and Intersection Space in a Retinal Chromophore Model”, J. Am. Chem. Soc. 2003, in press.

Niccolucci V., Ridolfi R., Facchini A., “The emergy analysis of the province of Siena in the SPIn-Eco project”, Ecosud 2003. WIT Press. IN PRESS.

Page C.S. and Olivucci M. “J. Comp. CASPT2 Geometry Optimization”. Chem. 2003, 24, 298-309.

Patterson T., Mapelli F. and Tiezzi E., “Effects of tourism on net social benefits; defining optimal scale in the Merse watershed, Italy”, Ecosystems and Sustainable Development IV (E. Tiezzi, C.A. Brebbia, J.L. Usò eds.), WIT Press, Southampton, 2003, in press.

Ranieri-Raggi M., Raggi A., Martini D., Benvenuti M. and Mangani S., “XAS of dilute biological samples”. (2003) J. Synchrotron Rad. 10, 69-70.

Raugei M., Bargigli S., and Ulgiati S. “Evaluation of a Coal Gasification Process towards Hydrogen Production. An Integrated Assessment”. In: Emergy Synthesis. Theory and Applications of Emergy Methodology – 2. M.T. Brown, H.T. Odum, D. Tilley, and S. Ulgiati (Editors), published by the Center for Environmental Policy, University of Florida, in press, 2003.

Rossi C., Martini S., Ricci M., Picchi M.P. and Bonechi C.: “Water-protein and ligand-protein interactions as determined by selective NMR relaxation studies”, Macromolecular Synmposia, 2003 (submitted).

Sciubba E. and Ulgiati S., “Emergy and Exergy Analyses: Complementary Methods or Irreducible Ideological Options?” Energy. The International Journal, submitted, 2003.

Sciubba E., Susani L., Tiezzi E.B.P., “Exergy and Extended Exergy Accounting of Province of Siena”, ECOSUD 2003, WIT Press, in press.

Tiezzi E., “The End of Time”, serie: The Sustainable World,.1 WIT Press, Southampton (GB), 2003.

Tiezzi E., “The Essence of Time”, serie: The Sustainable World, 2, Wit Press, Southampton (GB), 2003.

Ulgiati S., Brown M.T., Giampietro M., Herendeen R.A. and Mayumi K. (Editors). “Advances in Energy Studies. Reconsidering the Importance of Energy”. SGE Publisher, Padova, Italy, in press, 2003.

2002

Adam W., García H., Diedering M., Martí V., Olivucci M., Palomares E., “Stereochemical Memory in the Temperature-Dependent Photodenitrogenation of Bridgehead-Substituted DBH-Type Azoalkanes: Inhibition of Inverted-Housane Formation in the Diazenyl Diradical through the Mass Effect (Inertia) and Steric Hindrance”, J. Am. Chem. Soc. 2002, 12192-12199.

Aime S., D'Amelio N., Fragai M., Lee Y.M., Luchinat C., Terreno E., Valensin G., “A paramagnetic probe to localize residues next to carboxylates on protein surfaces”, JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY 2002, Vol 7, Iss 6, pp 617.

Avilés T., A.Dinis, J.O.Gonçalves, V.Félix, M.J.Calhorda, Â.Prazeres, M.G.B.Drew, H.Alves, R.T.Henriques, V. da Gama, P.Zanello, and M.Fontani, “Synthesis, X-Ray Structures, Electrochemistry, Magnetic Properties, and Theoretical Studies of the Novel Monomeric [CoI2(dppfO2)] and Polymeric Chain [CoI2(dppfO2)]”. J.Chem.Soc., Dalton Trans., 4595 (2002).

Balocco C., Papeschi S., Grazzini G. e Basosi R., “Using exergy to analyze sustainability of a built up urban area”, submitted to Ecological Economics (2002).

Baratto M.C., Tattini M., Galardi C., Pinelli P., Romani A., Visioli F., Basosi R., Pogni R., “Antioxidant activity of galloyl quinic derivatives isolated from P.lentiscus leaves” Free Radical Research, accepted, 2002.

Bargigli S., Raugei M. and Ulgiati S., “Thermodynamic and environmental profile of selected gaseous energy carriers. Comparing natural gas, syngas and hydrogen”. In: ECOS 2002, Refereed Book of Proceedings of the 15th International Conference on Efficiency, Costs, Optimization, Simulation and Environmental Impact of Energy Systems - Berlin (Germany) 2-5 July 2002. G. Tsatsaronis, M.J. Moran, F. Cziesla, and T. Bruckner (Eds.), pp. 604-612.

Bastianoni S., “Use of thermodynamic orientors to assess the efficiency of ecosystems: a case study in the lagoon of Venice” The Scientific World Journal, 2, 255-260; 2002.

Bastianoni S., Fugaro L., Principi I., Rosini M., “The artificial water cycle: emergy analysis of waste water treatment”, Annali di chimica, vol 93, by Società Chimica Italiana, 2003, in press.

Bastianoni S., Marchettini N., Panzieri M. and Ridolfi R., “Thermodynamic analysis of the province of Ravenna (Italy)”; Annali di Chimica, 92, 771-781; 2002.

Bastianoni S., Masia M., Pulselli F.M., Rustici M. “Effects of ionic strength in a closed unstirred Belousov-Zhabotinsky medium”. Physical Chemistry, 2002, submitted.

Bastianoni S., Masia M., Pulselli F.M., Rustici M. “Effects of the sulphate ions in a closed unstirred Belousov-Zhabotinsky medium” Chemical Physics Letters, 2002, submitted.

Bastianoni S., Porcelli M., Pulselli F.M. “Emergy evaluation of composting municipal solid waste”, Waste Management and Environment (D. Almorza, C.A. Brebbia, D. Sale, E. Popov eds.), WIT Press, Southampton, 2002, 243-252.

Bastianoni S., Pulselli F.M., Susani L. “Environmental Management based on Thermodynamics: a case study in the Province of Pesaro (Italy)”. Environmental Science and Pollution Research, Special Issue 3, 2002, 105-106.

Bimonte S. and Ulgiati S., “Exploring Biophysical Approaches to Develop Environmental Taxation Tools: Envitax, to Face the ‘New Scarcity’”. In: Economic Institutions and Environmental Policy, Franzini, M. and Nicita, A. (eds), Ashgate, Aldershot, UK, 2002, 177-200.

Blancafort L., González D., Olivucci M. and Robb M.A., “Quenching of Tryptophan 1p,p* Fluorescence induced by Intramolecular Hydrogen Abstraction via an Aborted Decarboxylation Mechanism”, J. Am. Chem. Soc. 2002, 124, 6398-6406.

Bonechi C., Lonetti B., Arduini A., Baglioni P., Donati A., Martini S., Pochini A., and Rossi C., “Analysis of the p-tert-Butylcalix[4]arene derivative (Dc3)-Acetonitrile host-guest complexing behaviour by Nuclear Magnetic Resonance (NMR) Spectroscopy and Computation Methods”. Journal Phys. Chem. 2002 (submitted).

Botta B., Delle Monache G., Zappia G., Misiti D., Baratto M.C., Pogni R., Gacs-Baitz E., Botta M., Corelli F., Manetti F., Tafi A., “Synthesis and Interaction with Copper(II) Cations of Cyano- and Aminoresorcin[4]arenes”, (pubblicazione su rivista, 2002) Journal of Organic Chemistry, Vol.67, 1178 - 1183.

Brown M.T. and Ulgiati S. “Emergy Evaluation and Environmental Loading of Electricity Production Systems”. The Journal of Cleaner Production, 10: 321-334, 2002.

Busi E., Basosi R., Ponticelli F., Olivucci M., “Synthesis of an imprinted polymer resin that catalyzes the Diels-Alder reaction”, Organica Letters, submitted, 2002.

Cini R., Bellucci C., Tamasi G., Corsini M., Fontani M., Zanello P., “Synthesis, Electrochemical Studies, Density Functional Analysis and X-ray Structures of trans,cis,cis-[RuCl2(1-methylimidazole)2(SbPh3)2] and trans,cis,cis-[RuCl2(4-methylpyrimidine)2(SbPh3)2]. The Roles of C-H…N and C-H…Cl Interactions in Pyrimidine Pairings and in Tuning the Angular Approach of Imidazole Residues to Metals”, Inorg. Chim. Acta, 2002, 339, 89-103 (in honor of professor H.Sigel).

Collini D., Femoni C., Iapalucci M.C., Longoni G., Svensson P.H. and Zanello P., “Tuning Electronic Behavior of Carbonyl Metal Clusters by Substitutionof Interstitial and Capping Atoms”, Angew.Chem.Int.Ed.Engl., 41, 3685 (2002).

Conato C., Kamysz W., Kozlowski H., Luczkowski M., Mackiewicz Z., Mlynarz P., Remelli M., Valensin D., Valensin G., “Cu(II) ion coordination to the pentadecapeptide model of the SPARC copper-binding site”, Journal of The Chemical Society-Dalton Transactions 2002, Iss 21, pp 3939.

De Vico L., Page C.S., Garavelli M., Bernardi F., Basosi R. and Olivucci M., “Reaction Path Analysis of the “Tunable” Photoisomerization Selectivity of Free and Locked Retinal Chromophores”. J. Am. Chem. Soc. 2002, 124 4124-4134.

Defazio P., Petrongolo C., Oliva C., Gonzalez M., Sayos R. “Quantum dynamics of the N(4S)+O2 reaction on the X2A' and a4A' surfaces: Reaction probabilities, cross sections, rate constants, and product distributions”, (pubblicazione su rivista, 2002) Journal of Chemical Physics, Vol.117, 3647 - 3656.

Defazio S., Cini R., “Synthesis, X-ray Structural Characterization and Molecular Modelling Analysis of Cobalt(II), Nichel(II), Zinc(II) and Cadmium(II) Complexes of the Widely Used Anti-inflammatory Drug Meloxicam”, J. Chem. Soc, Dalton Trans., 2002, 1888-1897.

Della Pergola R., Bianchi A., Fabrizi de Biani F., Garlaschelli L., Manassero M., Sansoni M., Strumolo D., Zanello P., “Different Bonding Modes of the C7 Ring on Iridium Clusters. Synthesis, Electrochemistry, and Solid State Structures of [Ir6(CO)13(m3-h2:h2:h2-C7H8)], [Ir6(CO)12(m3-h2:h3:h2-C7H7)]-, and [Ir6(CO)12(m3-h2:h2:h2-C7H8)]2-”, Organometallics, 21, 5642 (2002).

Ding L., Ma K., Dürner G., Bolte M., Fabrizi de Biani F., Zanello P. and Wagner M., “Reactions of Ferrocenylboranes With 2,5-Bis(Pyridyl)Pyrazine and Quaterpyridine: Charge-Transfer Complexes and Redox-Active Macrocycles” J.Chem.Soc., Dalton Trans., 1566 (2002).

Donati A., Ristori S., Bonechi C., Panza L., Martini G. and Rossi C., “Evidences of strong C-H…:O bond in a ortho-carboranyl b-lactoside in solution”. J. Am. Chem. Soc. 2002, 124 (30), 8778-8779.

Fabrizi de Biani F., Fontani M., Ruiz E., Zanello P., Russell J.M. and Grimes R.N., “Electronic Interactions In (h6-Arene) Ferracarboranes” Organometallics, 21, 4129 (2002).

Facchini A., Tiezzi E.B.P., Mecocci A. “An Interactive Evolutionary Algorithm for Adaptive User Interface Design”, Atti del convegno Intersymp 2002, Baden-Baden, Germany, 29 Luglio – 3 Agosto 2002.

Federici M., Ulgiati S., Verdesca D., Basosi R., “Efficency and sustainability for passenger and commodities transportation systems. The case of Siena, Italy”, Ecological Indicator, accepted (2002).

Feiters M.C., Mangani S., “Changes in the perception of biological X-ray absorption spectroscopy between ICBIC 1 and ICBIC 10/BIOXAS 2001: How far have we travelled?” (2002) J Synchrotron Radiat., 9, 103-104.

Ferrali M., Bambagioni S., Ceccanti A., Donati D., Giorgi G., Fontani M., Laschi F., Zanello P., Casolaro M. and Pietrangelo A., “Design, Synthesis, and Physicochemical Characterization of a New Iron Chelator of the Family of Hydroxychromenes”. J.Med.Chem., 45, 5776 (2002).

Ferraroni M., Yolanda Ruiz Tarifa M., Briganti F., Scozzafava A., Mangani S., Solyanikova I.P., Kolomytseva M.P., Golovleva L., “4-Chlorocatechol 1,2-dioxygenase from the Chlorophenol-utilizing Gram-positive Rhodococcus opacus 1CP: Crystallization and Preliminary Crystallographic Analysis”. (2002) Acta Crystallogr. D, Biol Crystallogr. 58,1074-1076.

Gaggelli E., Berti F., D'Amelio N., Gaggelli N., Valensin G., Bovalini L., Paffetti A., Trabalzini L., “Metabolic pathways of carcinogenic chromium”, ENVIRONMENTAL HEALTH PERSPECTIVES 2002, Vol 110, pp 733.

Gaggelli E., Gaggelli N., Valensin D., Valensin G., Jezowska-Bojczuk M., Kozlowski H., “Structure and dynamics of the lincomycin-copper(II) complex in water solution by H-1 and C-13 NMR studies”, INORGANIC CHEMISTRY 2002, Vol 41, Iss 6, pp 1518.

Gaggelli E., Valensin G., H-1 NMR relaxation investigation of herbicides interacting with photosystem II preparations from Spinacia oleracea L.”, Applied Magnetic Resonance 2000, Vol 18, Iss 2, pp 289-301.

Garavelli M., Bernardi F., Cembran A., Castaño O., Frutos L.M., Merchán M. and Olivucci M. “Cyclooctatetraene Computational Photo and Thermal Chemistry: a Reactivity Model for Conjugated Hydrocarbons”. J. Am. Chem. Soc. 2002, 13770-13789.

Gibson V.C., Long N.J., White A.J.P., Williams C.K., Williams D.J., Fontani M. and Zanello P., “Synthesis, Characterisation and Catalytic Activity of Metal Complexes of Neutral, Unsymmetrical P/S Ferrocenediyl Ligands” J.Chem.Soc., Dalton Trans., 3280 (2002).

Gonzalez A.M., Cini R., Intini F.P., Pacifico C., Natile G., “X-ray Structure of the first Platinum Complexes with Z Configuration of the Iminoether Ligands: trans-Dichlorobis(1-imino-1-methoxy-2,2'-dimethylpropane)platinum(II) and trans-Tetrachlorobis(1-imino-1-methoxy-2,2'-dimethylpropane)platinum(IV)”. Inorg. Chem. 2002, 41, 470-478.

Ismail N., Blancafort L., Olivucci M., Kohler B. and Robb M.A., “Ultrafast Decay of Electronically Excited Singlet Cytosine via a p,p* to nO,p* State Switch”, J. Am. Chem. Soc. 2002, 124, 6818-6819.

Kudinov A.R., Loginov D.A., Starikova Z.A., Petrovskii P.V., Corsini M. and Zanello P., “Iron- and Ruthenium-Containing Triple-Decker Complexes with a Central Pentaphospholyl Ligand. X-Ray Structures of [(h-C5H5)Fe(m-h:h-P5)Ru(h-C5Me5)]PF6 and [(h-C5Me5)Ru(m-h:h-P5)Ru(h-C5Me5)]PF6””, Eur.J.Inorg.Chem., 3018 (2002).

Lipowska M., Hansen L., Cini R., Xu X., Choi H., Taylor A.T., Marzilli L.G., “Synthesis and Characterization of New [Re(V)O]3+ Complexes. X-ray Crystal Structure of syn-ReO(CAATH-Et) (CAAT-Et = cysteine-acetamide-ethanethiol ethyl ester)”, Inorg. Chim. Acta, 2002, 339, 327-340 (in honor of professor H.Sigel).

Liu H., Calhorda M.J., Drew M.G.B., Félix V., Novosad J., Veiros L.F., Fabrizi de Biani F. and Zanello P., “New Cu(I) and Ag(I) Binuclear Complexes Containing the dppa Ligand”, J.Chem.Soc., Dalton Trans., 4365 (2002).

Loiselle S., Bracchini L., Cozar A., Cognetta A., Rossi C., “Spatial and temporal distribution of optical parameters in remote wetland ecosystems using satellite based sensors in the visibile and infrared wavebands”, VII Congresso Nazionale di Chimica Ambientale. Dal locale al globale: percorsi di sostenibilità, Venezia 11-14 giugno 2002.

Loiselle S.A, Bracchini L., Cozar A., Cognetta A., Rossi C., “Determination of water optical parameters in a large wetland using TM bands”, Proceedings from the 29th International Symposium on Remote Sensing of Environment Buenos Aires, 2002.

Loiselle S.A., Rossi C., “Neotropical wetlands: new instruments in ecosystem management”. Wetlands Ecology and Management, 2002 (in corso di stampa).

Luczkowski M., Kozlowski H., Stawikowski M., Rolka K., Gaggelli E., Valensin D., Valensin G., “Is the monomeric prion octapeptide repeat PHGGGWGQ a specific ligand for Cu2+ ions?”, Journal of The Chemical Society-Dalton Transactions 2002, Iss 11, pp 2269.

Ma K., Fabrizi de Biani F., Bolte M., Zanello P. and Wagner M., “Electronic Communication in a Series of Novel Multistep Redox Systems”, Organometallics, 21, 3979 (2002).

Mangani S., “Application of synchrotron radiation to structural biology”. In Synchrotron radiation: Perspectives and new technologies. Atti dei Convegni Lincei n. 179, Roma, 2002, pp. 15-30.

Mapelli F., “Forme del sapere e sostenibilità dello sviluppo”, Convegno internazionale di studi: La genesi delle forme nelle scienze e nelle arti, San Leo-Urbino 17-21 settembre 2002, in press.

Mapelli F., Pulselli F.M., Tiezzi E.B.P., Pulselli R.M. “Thermodynamic concepts for sustainability studies”, Design & Nature (C.A. Brebbia, L. Sucharov & P. Pascolo eds.), WIT Press, Southampton, 2002, 185-190.

Marchettini N., Donati A., Pulselli F.M., Bastianoni S. e Tiezzi E., “High soil As level in the area of plant for pyrite processing: natural anomaly vs pollution hypotesis”, Proceeding of XVII World Congress of Soil Science, Bangkok (Thailandia), 14-21 agosto 2002, in corso di stampa.

Marchettini N., Elia V., Tiezzi E.B.P. and Tiezzi E., “The supramolecular structure of water: an inverse problem?”, Proceeding of The First International Conference “Inverse problems: Modeling and Simulation”, Fethiye (Turchia), 14-21 luglio 2002, in corso di stampa.

Marchettini N., Niccolucci V. and Tiezzi E., The supramolecular structure of water, in Brebbia C.A., Sucharov L. and Pascolo P. (eds.), Design & Nature 2002 (Comparing Design in Nature with Science and Engineering), WIT Press, Southampton, pp. 355-359, 2002.

Marchettini N., Pulselli F.M. e Tiezzi E., “La pianificazione territoriale mediante l’uso di indicatori termodinamici di sostenibilità: il caso della Provincia di Pesaro e Urbino”, in Atti del VII Congresso Nazionale di Chimica Ambientale, Venezia, 11-14 giugno, 2002, in corso di stampa.

Marchettini N., Tiezzi E. and Ridolfi R., “Brownfields contribution in managing urban sprawling and soil consumption in Brescia”, in Brownfield Sites (C.A. Brebbia, D. Almorza & H. Klapperich eds.), WIT Press, 201-208 Southampton, 2002.

Marchettini N., Tiezzi E., Ridolfi R., “Brownfields contribution in managing urban sprawling and soil consumption in Brescia”. Atti del convegno “BROWNFIELDS 2002”, Cadiz, Spain, 2-4 Settembre 2002, WIT Press.

Marchettini N., Tiezzi E.B.P. e Tiezzi E., “Sviluppo sostenibile, effetto serra e acqua alta a Venezia”, in Atti del VII Congresso Nazionale di Chimica Ambientale, Venezia, 11-14 giugno, 2002, in corso di stampa.

Margiotta N., Fanizzi F.P., Cini R., Tamasi G., Natile G., “Crystal and Molecular Structure of (2-Amino-Pyridine)Iodo(2,9-Dimethyl-1,10-Phenanthroline)Platinum(II) Iodide Bis-Chloroform Solvate and Iodo(1-Methyl-Cytosine)(2,9-Dimethyl-1,10-Phenanthroline)Platinum(II) Iodide Methanol Solvate”, Inorg. Chim. Acta, 2002, 339, 503-512 (in honor of professor H.Sigel).

Martini S., Corbini G., Corti P., Lampariello, .Picchi M.P. and Bonechi C., “Spectroscopic Investigation of the Conformational Properties and Self-Association Behaviour of Natural Compounds in Solution”, Spectroscopy Letters, 2002, 35 (4), 581-602.

Niccolucci V., Kneller M., Marchettini N. and Rosini M., “CO2 emissions and emergy indices: does a correlation exist?”, in Brebbia C.A. and Martin-Duque J.F. (eds.), Air Pollution X, WIT Press, Southampton, pp. 263-270, 2002.

Niccolucci V., Panzieri M., Porcelli M. and Ridolfi R., “Emergy assessment of incineration and landfilling of municipal solid waste in Italy”, in “Emergy Synthesis: theory and applications of the emergy methodology. Proceeding of the second biennal emergy analysis research”, Gainsville, FL., 2002. IN PRESS.

Niccolucci V., Picchi M.P. and Ridolfi R., “An integrated approach for the assessment of the environmental sustainability of a territorial system”. Atti del VII Congresso Nazionale di Chimica Ambientale “Dal locale al globale: percorsi di sostenibilità" - Venezia, Italia, 11-14 Giugno 2002.

Noethig-Laslo V., Paulic N., Basosi R., Pogni R., “Role of apically bound water molecule on aliphatic-aliphatic side-chain interactions in bis [N,N-dimethyl-L-a-isoleucinato]copper(II) studied by EPR spectroscopy”, Polyhedron, 21, 1643-1649, 2002.

Olivucci M., “The Chemistry of Conical Intersections”. La Chimica e l’Industria 2002, 84, 44-45.

Panzieri M., Marchettini N. and Bastianoni S., “A thermodynamic methodology to assess how different cultivation methods affect sustainability of agricultural systems” Journal of Sustainable Development and World Ecology, 9, 1,1-8; 2002.

Panzieri M., Marchettini N., Ridolfi R., “Environmental certification: a scientific tool for sustainability. Evaluation of possible indicators for the Environmental Performance Evaluation (EPE) of Ravenna Province (Italy)”. Atti del VII Congresso Nazionale di Chimica Ambientale “Dal locale al globale: percorsi di sostenibilità"-Venezia, Italia, 11-14 Giugno 2002.

Panzieri M., Porcelli M., Pulselli F.M. “Thermodynamic indicators for environmental certification”, Annali di Chimica, Vol. 92, Issue 9, 2002, 875-885.

Picchi M.P., Fugaro L., Donati A., “Unusual aspects of arsenic distribution, in the area of the industrial district of Scarlino (Tuscany); problems connected with sulfuric acid production from pyrite”, pp 121-130. In “Brownfield sites: Assessment, rehabilitation & development”, Editors: C.A. Brebbia, D. Almorza & H. Klapperich. WIT Press, 2002.

Pulselli F.M., Pulselli R.M, Picchi M.P. “Emergy evaluation of the Emternalities at local level: the case of some hill-mountain municipalities in Italy”. Gainsville 2002, in press.

Pulselli F.M., Tiezzi E.B.P. e Pulselli R.M. “Modelling greenhouse effect: an ecodynamic approach”, X International Conference on “AIR POLLUTION X”, ed. WIT PRESS, Sothampton, 2002, 271-277.

Pulselli R.M e Tiezzi E. “Deposito Organizzato di Arte Contemporanea a Siena: la ricerca di una architettura sostenibile”, Abitare la Terra, Gangemi Editore, 2003 (in press).

Pulselli R.M., .Pulselli F.M. e Tiezzi E., “Abitare il tempo e abitare lo spazio: le basi di un’architettura”; in Abitare la Terra, anno 2 n° 2, Gangemi Editore, 2002.

Pulselli R.M., Bastianoni S. and Tiezzi E., “Self-organisation as a resource for a sustainable city planning”; The Sustainable City (C.A. Brebbia, J.F. Martin-Dunque & L.C. Wadhwa eds) WIT Press, 101-113, Southampton 2002.

Pulselli R.M., Pulselli F. M. e Tiezzi E. “Abitare il tempo e abitare lo spazio: le basi di un’architettura sostenibile”, Abitare la Terra, n. 2, ed. Gangemi, Roma, 2002 (pp. 6-9).

Ridolfi R., “Indicatori per la valutazione della sostenibilità in agricoltura”. Atti della III Convention Nazionale Ambiente Ricerca Giovani “La Chimica e l’Ambiente, un altro mondo è possibile”, Siena, Italia, 10-14 Novembre 2002.
Ridolfi R., Borsa S., Susani L. “Modelling a sustainable agriculture production in the Province of Siena”. Atti del convegno Intersymp 2002, Baden-Baden, Germany, 29 Luglio – 3 Agosto 2002.

Rosini M., Facchini A., Picchi M.P., “Composing Indicators in a multilayered perspective: towards a hermeneutics of sustainbility”. The sustainable city, WIT Press. pp 215-223.

Rosini M., Mapelli F., Marchettini N., Il vincolo invisibile: architettura, sostenibilità… e ritorno, “Abitare la Terra” 2, 2002, Gangemi Editore.

Rossi C., Bonechi C., Corbini G., Corti P., Bastianoni S. and Martini S., “Water NMR selective relaxation studies of Macromolecule-Solvent Intercations”. Chemical Physics Letters, 2002 (submitted).

Ruitz M.D.S., Cembran A., Garavelli M., Olivucci M. and Fuss W., “Structure of the Conical Intersections Driving the cis-trans Photoisomerization of Conjugated Photochemistry & Photobiology”, 2002, 76(6), 620-631.

Rustici M., Bastianoni S., Facchini A. and Rossi F., “Effects of the Ionic Strenght in a Closed Unstirred Belousov-Zhabotinsky Medium”; XXXII Italian Meeting of Physical Chemistry, Italian Electrochemistry Days 2002; Ferrara, PC3-P13, 23-28 Giugno 2002.

Rustici M., Lai G., Facchini A. and Bastianoni S., “Experimental evidences for chaotic dynamics in the roar of the Cervus Elaphus corsicanus”, in “Design and Nature” Edited by C.A. Brebbia, L. Sucharov and P. Pascolo, 103-112; 2002.

Santoro F., Defazio P., Petrongolo C. “Adiabatic and non-adiabatic dynamics of some atmospheric and combustion reactions”, (pubblicazione su volume collettaneo, 2002) , 479 - 491 Volume: Recent Research Developments in Chemical Physics, Vol. 3, Casa Editrice: Transworld Research Network, Trivandrum, India.

Santoro F., Petrongolo C. “Quantum calculations of spectral and dynamical properties of NO2 due to the X2A'/A2A' conical intersection”, (pubblicazione su volume collettaneo, 2002) , 123 - 140 Volume: Recent Research Developments in Chemical Physics, Vol. 3, Casa Editrice: Transworld Research Network, Trivandrum, India.

Santoro F., Petrongolo C., Schatz G.C. “Trajectory surface hopping study of the Renner-Teller effect in the N(2D)+H2 reaction”, (pubblicazione su rivista, 2002) JOURNAL OF PHYSICAL CHEMISTRY A, Vol.106, 8276 – 8290.
Sinicropi A., Nau W.M. and Olivucci M., “Excited state quenching via unsuccessful chemical reactions”, Photochemical & photobiological Sciences 2002, 8, 537-546.

Steudel R., Hassenberg K., Pickardt J., Grigiotti E. and Zanello P., “Synthetic and Electrochemical Studies on 1,1’-Dithia-Substituted Derivatives of Ferrocene and Structure Of 1,3-Dithia[3]Ferrocenophane [Fe(C5H4S)2CH2]” Organometallics, 21, 2604 (2002).

Stultz E., Sanders J.K.M., Montalti M., Prodi L., Zaccheroni N., Fabrizi de Biani F., Grigiotti E. and Zanello P., “Phosphine and Phosphonite Complexes of A Ru(Ii) Porphyrin. 2. Photophysical and Electrochemical Studies” Inorg.Chem., 41, 5269 (2002).

Susani L., Niccolucci V., Bastianoni S., “Emergy accounting of Italian electric power production”, CD-ROM del congresso “Sustainable development of energy, water and environment systems”, June 2-7, 2002, Dubrovnik, Croatia.

Tassini M., Vivi A., Gaggelli E., Valensin G., Pasini F.L., Puccetti L., Di Perri T., “Effects of fluoxetine treatment on carbohydrate metabolism in human blood platelets: a H-1-NMR study”, ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS 2002, Vol 404, Iss 1, pp 163.

Tedeschi M., D'Errico G., Busi E., Basosi R. e Barone V., “Micellar Aggregation of Sulfonate Surfactants Studied by Electron Paramagnetic Resonance of a Cationic Nitroxide: An Experimental and Computational approach”, J.P.C.C.P. 4, 2180-2188, 2002.

Tiezzi E. e Marchettini N., “Epistemological aspects of systems theory related to biological evolution”; in Encyclopedia of Life Support Systems (a cura dell’UNESCO-EOLSS), EOLSS Publishers Co. Ltd, in corso di stampa, 2002.

Tiezzi E. e Marchettini N., “Forme del tempo, evoluzione e meraviglie delle forme: dalla biologia all’ecologia”, in Convegno Internazionale di Studi “La genesi delle forme nelle scienze e nelle arti”, San Leo (Pesaro), 14-20 settembre 2002, in corso di stampa.

Tiezzi E. e Pulselli R.M., “A thermodynamic framework for planning models”; Advances in Ecosystems Research (a cura di G. Lasker e S. Bastianoni editors), The International Institute for Advanced Studies in Systems Research and Cybernetics Pub., University of Windsor, Ontario, 6, 34-38, 2002.

Tiezzi E., Bastianoni S., Marchettini N., Pulselli F.M. “Open inverse problems in physical chemistry”, in Abstracts of the 1st International Conference “Inverse Problems: Modeling and Simulation”, ed. by Cohn S., Hasanoglu A., Kabanikhin S., Tolstoy A. 2002, 155-156.

Tiezzi E., Marchettini N. e Pulselli R. M. “Estetica della biodiversità”, Bioarchitettura, anno IX n.29, ed. INBAR, Bolzano, 2002 (pp. 4-7).

Tiezzi E., Plenary: “Aqua Mater: from micro structures to ecosystems”, in Atti del VII Congresso Nazionale di Chimica Ambientale, Venezia, 11-14 giugno 2002, in corso di stampa.
Ulgiati S. “Energy Flows in Ecology and Economy” In: The Encyclopedia of Physical Science and Technology - Power Systems. R.A. Meyers, Editor-in-Chief. Academic Press, Inc., Vol. 5, pp.441-460, 2002.

Ulgiati S. and Brown M.T. “Quantifying the Environmental Support for the Dilution and Abatement of Process Emissions. The Case of Electricity Production”. The Journal of Cleaner Production, 10: 335-348, 2002.

Zanello P., “Structure and Electrochemistry of Transition Metal Carbonyl Clusters with Interstitial or Semi-Interstitial Atoms: Contrast between Nitrides or Phosphides and Carbides”, In “Physical Organometallic Chemistry. Vol. 3. Unusual Structures and Physical Properties in Organometallic Chemistry”, M.Gielen, R.Willem, B.Wrackmeyer, eds. John Wiley, Chichester, UK., 2002, pp. 1-49.

2001

Aceves M.A., Baratto M.C., Basosi R., Duhalt R.V., Pogni R. “Spectroscopic Characterization of a Manganese-Lignin peroxidase Hybrid Isozyme Produced by Bjerkandera adusta in the Absence of Manganese: Evidence of a Protein Centred Radical by Hydrogen Peroxide” 2001, J.Mol. Cat. B: Enzymatic, 16 , 2001, 159-167.

Bachechi F., Burini A., Fontani M., Galassi R., Macchioni A., Pietroni B.R., Zanello P. and Zuccaccia C., “Solid State and Solution Investigations of Derivatives of Group 11 Metal Ions with 1benzyl-2-Imidazolyldiphenylphosphine (L). Electrochemical Behavior of [M2l3]2+ (M = Cui, Agi) and [AuL2]+ complexes”, Inorg.Chem.Acta, 323, 45 (2001).

Bagliani M., Ferlaino F., Marchettini N., Panzieri M., Porcelli M., Procopio S., Pulselli F.M., Tiezzi E. “La città di Torino è sostenibile?”, OIKOS, n. 11, 2001, 103-111.

Basosi R., D’Amelio N., Gaggelli E., Pogni R. and Valensin G. “Cis/trans Isomerization of b-casomorphin peptides buond to copper(II): integration of EPR and NMR studies” J. Chem. Soc., Perkin Transaction 2, 2001, 252-257.

Basosi R., D'Amelio N., Gaggelli E., Gaggelli N., Maccotta A., Pogni R., Valensin D., Valensin G., “NMR and EPR Studies of copper complexes with short-peptides: the effects of cis/trans isomerism of proline”, Current Topics in Peptide and Protein Research, 2001, vol. 4, 17-35.

Basosi R., D'Amelio N., Gaggelli E., Pogni R., Valensin G., “cis-trans Isomerization of beta-casomorphin peptides bound to copper(II): integration of EPR and NMR studies”, Journal of The Chemical Society-Perkin Transactions 2 2001, Iss 3, pp 252-257.

Bastianoni S., Bernstein A.G., Manfredi M., Montobbio L. and Tiezzi E., “Use of thermodynamic orientors for the management of aquatic systems”; in “Ecosystems and Sustainable Development III”, Y.Villacampa, C.A.Brebbia and J.L.Usò Eds., WIT Press, Southampton, 553-561; 2001.

Bastianoni S., Bernstein A.G., Manfredi M., Montobbio L. and Tiezzi E., “Use of thermodynamics orientors for the management of aquatic systems” Ecosystems and Sustainable Development III (Y. Villacampa, C. A. Brebbia e J. L. Usò eds.), WIT press, 553-561, Southampton, 2001.

Bastianoni S., Bernstein A.G., Manfredi M., Montobbio L. e Tiezzi E., “Uso di indicatori termodinamici per la gestione dei sistemi acquatici”; Atti Workshop CNR IGBP “Global Change”, CNR, Roma, 361, 2001.

Bastianoni S., Catenacci G., Principi I. and Tiezzi E.B.P., “Produzione di energia elettrica da fonti rinnovabili: un approccio emergetico”. OIKOS, 11, 85-101, 2001.

Bastianoni S., Catenacci G., Principi I., Tiezzi E.B.P., "Produzione di energia elettrica da fonti rinnovabili: un approccio emergetico"; OIKOS, n. 11, 2001.

Bastianoni S., Fugaro L., Principi I. e Tiezzi E., “La contabilità ambientale fisica: analisi emergetica del sistema idrico artificiale della valle delle Samoggia”, in Implementazione di un sistema di contabilità ambientale su scala provinciale e intercomunale, Report della Provincia di Bologna per il Ministero dell’Ambiente, Bologna 2001.

Bastianoni S., Marchettini N., Panzieri M. and Tiezzi E., “Sustainability assessment of a farm in the Chianti area (Italy)” Journal of Cleaner Production 9, 4, 365-373; 2001.

Bastianoni S., Marchettini N., Panzieri M. e Tiezzi E., “Sustainability assessment of a farm in the Chianti area (Italy)”; Journal of Cleaner Production 9, 365-73, 2001.

Bastianoni S., Marchettini N., Pulselli F.M. “The use of natural resources in anthropic systems from a sustainability viewpoint”, Advances in Ecosystems Research, Vol IV, ed. by G.E. Lasker & S. Bastianoni, pub. by The International Institute for advanced Studies in Systems Research and Cybernetics, 2001, 39-43.

Bastianoni S., Niccolucci V. and Picchi M.P., “Thermodynamic analysis of ceramics production in Sassuolo (Italy) from a sustainability viewpoint” Journal of Thermal Analysis and Calorimetry, 66, 273-280, 2001.

Bastianoni S., Niccolucci V. e Tiezzi E., “Methodologies for environmental analysis”, Eco-Efficiency Biennal, Torino, 2001, in corso di stampa.

Bastianoni S., Niccolucci V., Piccini A., Pulselli F.M. “Il progetto SPIN-ECO: una prospettiva di sostenibilità per la Provincia di Siena”, OIKOS, n. 12, 2001, 63-78.

Bastianoni S., Picchi M.P., Pulselli F.M. “On the sustainability of electricity production in Italy”, Advances in Ecosystems Research, Vol IV, ed. by G.E. Lasker & S. Bastianoni, pub. by The International Institute for advanced Studies in Systems Research and Cybernetics, 2001, 44-48.

Bastianoni S., Pulselli F.M., Tiezzi E., “Use of thermodynamic functions to quantify pollution in aquatic ecosystems”; 78, XXXI Congresso Nazionale di Chimica Fisica, Padova, June 19-23, 2001.

Bellucci C., Cini R., “Trans-[dichloro-terakis(N1-4-methyl-1,3-pyrimidine)ruthenium(II)]”, Acta Crystallographica, 2001, C57, 1039-1040.

Benini S., Rypniewski W.R., Wilson K.S., Ciurli S. and Mangani S., “Structure based rationalization of Urease Inhibition by Phosphate: Novel Insights into the Reaction Mechanism”. (2001) J. Biol. Inorg. Chem. 6, 778-790.

Bocci V., Pogni R., Corradeschi F., Busi E., Cervelli C., Bocchi L., Basosi R.“ Oxygen-Ozone in orthopaedics: EPR detection of hydroxyl free radicals in ozone treated “nucleus pulposus” material”, Rivista di Neuroradiologia, 2001, 14:55-59.

Bonechi C., Brizzi A., Brizzi V., Donati A. and Rossi C., "Conformational Analysis of the N-Arachinylethanolamide (Anandamide) using Nuclear Magnetic Resonance and Theoretical Calculations". Magnetic Resonance in Chemistry, 2001, 39 (8), 432-437.

Bonechi C., Martini S., Ricci M., Rossi C., “NMR investigation of ligand-macromolecule interactions”. IX International Symposium on Magnetic Resonance in Colloid and Interface Sciences, st. Petersburg, Russia 26-30 Giugno 2001.

Bracchini L., Falcucci M., Hull V., Loiselle S., Panella S., Rossi C., “Caratterizzazione del comportamento della radiazione solare (UV e PAR) nel Lago del Salto e influenze sulla produzione primaria”, (Accettato XI Congresso della Società Italiana di Ecologia, 2001.

Brown M.T. and Ulgiati S. “A Quantitative Method for Determining Carrying Capacity for Economic Investments”. International Journal of Population and Environment, 22(5): 471-501, 2001.

Brown M.T., Brandt-Williams S., Tilley D. and Ulgiati S. (Editors). “Emergy Synthesis. Theory and Applications of Emergy Methodology”. The Center for Environmental Policy, University of Florida, Gainesville, FL, 2001.

Brown M.T., Brandt-Williams S., Tilley D. and Ulgiati S. “Emergy Synthesis. An Introduction”. In: Emergy Synthesis. Theory and Applications of Emergy Methodology. M.T. Brown, S. Brandt-Williams, D. Tilley and S. Ulgiati Editors. Published by: The Center for Environmental Policy, University of Florida, Gainesville, FL, Pp. 1-14, 2001.

Bushell K., Gialou C., Goh C.H., Long N.J., Martin J., White A.J.P., Williams C.K., Williams D.J., Fontani M. and Zanello P., “Synthesis And Characterisation Of Novel Multidentate Ferrocene Ligands And Their Re(I) And Pt(Ii) Complexes”, J.Organomet.Chem., 637-639, 418 (2001).

Butler I.R., Coles S.J., Fontani M., Hursthouse M.B., Lewis E., Malik K.L.M.A., Meunier M. and Zanello P., “Diferrocenyltriphosphines 2. Reversible Phosphine Deligation in the Chemistry of Diferrocenyltriphosphine Ru(Ii) Dichloride Complexes with Nitriles and Pyridines: Towards a Ph-Switchable Catalyst ?” J.Organomet.Chem., 637-639, 538 (2001).

Caruso C., Catenacci G., Marchettini N., Principi I., Tiezzi E., "Emergy based analysis of Italian Electricity Production System"; Journal of Thermal Anaysis and Calorimetry; 2001; 66: 265-272.

Ciani G., Sironi A., Martinengo S., Garlaschelli L., Della Pergola R., Zanello P., Laschi F. and Masciocchi N., “Synthesis and X-Ray Characterization of the Phosphido-Carbonyl Cluster Anions [Co9(m8-P)(CO)21]2- and [Co10(m8-P)(CO)22]3-”, Inorg.Chem., 40, 3905 (2001).

Cini R., “[N,N'-4-methyl-4-azaheptane-1,7-diylbis(4-methoxy- salicylideneiminato)cobalt(II)] methanol hemisolvate”, Acta Crystallographica, 2001, C57, 1171-1173.

Cini R., “Molecular Orbital and Geometry Optimization Analysis of Coordination and Organometallic Compounds with Ligands of Biological and Pharmacological Interest”. Science and Supercomputing at CINECA, 2001, 184-188.

Cini R., “Rhodium-Antimony Linkages in Coordination Chemistry as Revealed in X-ray Structural Studies”, Trends in Inorganic Chemistry, 2001, 7, 57-75.

Cini R., Chindamo D., Catenaccio M., Lorenzini S., Selvi E., Nerucci F., Picchi M.P., Berti G., Marcolongo R., “Dissolution of Calcium Pyrophosphate Crystals by Polyphopshates: an In Vitro and Ex Vivo Study”. Annals of the Rheumatic Diseases, 2001, 82, 962-967.

Cini R., Donati A., Giannettoni R., “Synthesis and Structural Characterization of Chloro(2,2’,6’,2”-terpyridine)platinum(II) Trichloro(dimethylsufoxide)platinate(II). Density Functional Analysis of the Pt-Pt Interaction in Model Molecules”, Inorg. Chim. Acta, 2001, 315, 73-80.

Ciurli S., Mangani S., “Nickel-containing Enzymes”. In: Handbook of Metalloproteins, pp. 669-708. Eds: Ivano Bertini, Astrid Sigel, Helmut Sigel. (2001) Marcel Dekker N.Y., USA.

D'Amelio N., Aime S., Bertini I., Fragai M., Lee Y.M., Luchinat C., Valensin G., “Interaction of lanthanide-DO3A complexes with adjacent glutamate carboxylate groups in Calbindin D-9K”, Journal of Inorganic Biochemistry 2001, Vol 86, Iss 1, pp 194.

Defazio P., Petrongolo C., Gray S., Oliva C., “Wave packet dynamics of the N(4S)+O2(X3Sigmag-)->NO(X2Pi)+O(3P) reaction on the X2A' potential energy surface”, (pubblicazione su rivista, 2001) Journal of Chemical Physics, Vol.115, 3208 - 3214.

Della Pergola R., Garlaschelli L., Manassero M., Sansoni M., Strumolo D., Fabrizi de Biani F. and Zanello P., “Reactivity of Nitrido-Carbonyl Clusters: Synthesis and Solid State Structure of [Fe5MnN(CO)16]2- and [Fe6N(CO)14(NO)]2-, Oxidation of a Cluster-Coordinated Nitride”, J.Chem.Soc., Dalton Trans., 2179 (2001).

Demartin F., Fabrizi de Biani F., Femoni C., Iapalucci M.C., Longoni G., Macchi P. and P. Zanello, “Synthesis, Electrochemistry and Crystal Structure of the [Ni36Pt4(CO)45]6- and [Ni37Pt4(CO)46]6- Hexaanions”, J.Cluster Sci., 12, 61 (2001).

Ding L., K. Ma, F. Fabrizi de Biani, M. Bolte, P. Zanello and M. Wagner, “Electronic Communication in a Novel Five-Step Redox System”, Organometallics, 20, 1041 (2001).

Ding L., K.Ma, M.Bolte, F.Fabrizi de Biani, P.Zanello, and M.Wagner, “Multistep Redox Properties Of 2,2’-Bipyridylboronium Substituted Ferrocenes”, J.Organomet.Chem., 637-639, 390 (2001).

Diversi P., M. Fontani, M. Fuligni, F. Laschi, S. Matteoni, C. Pinzino and P. Zanello, “Oxidative Reactions of ‘Half-Sandwich’ Ruthenium Compounds: Formation of Cationic Nitrosyl Ruthenium(Ii) Derivatives”, J.Organomet.Chem., 626, 145 (2001).

Donati A., Magnani A., Bonechi C., Barbucci R. and Rossi C., “Solution structure of hyaluronic acid oligomers by experimental and theoretical NMR, and molecular dynamics simulation". Biopolymers, 2001, vol. 59 (6), 434-445.

Fabrizi de Biani F., C.Graiff, G.Opromolla, G.Predieri, A.Tiripicchio, and P.Zanello, “A Re-Examination of the Reaction Between 1,1’-Bis(Diphenylphosphino)Ferrocene (dppf) diselenide and [Ru3(CO)12]. Electrochemical Behaviour of the Isomeric Nido-Clusters [Ru3(m3-Se)2(dppf)(CO)7] and [Ru3(m3-Se)2(m-dppf)(CO)7] and Crystal Structure of [Ru3Se{m-P(Ph)C5H4FeC5H4PPh2}(m-OCPh)(CO)6], J.Organomet.Chem., 637-639, 586 (2001).

Fabrizi de Biani F., F. Laschi, P. Zanello, G. Ferguson, J. Trotter, G.M. O’Riordan and T.R. Spalding, “Synthesis, Structure, Spetroscopic and Electrochemical Study of the Paramagnetic Compound [2-(h7-C7H7)-7,11-F2-2,1-closo-MoTeB10H8]”, J.Chem.Soc., Dalton Trans., 1520 (2001).

Fugaro L., Marchettini N., Principi I., “Environmental accounting of water resources in the Samoggia river area”, Second Biennal Emergy Evaluation and Research Conference, Gainesville, FL, 2001, in press.

Fugaro L., Marchettini N., Principi I., Tiezzi E., "La contabilità ambientale delle risorse idriche", OIKOS n. 12, Greentime, Bologna 2001.

Gaggelli E., Berti F., Gaggelli N., Maccotta A., Valensin G., “A homodinuclear Cr(v)Cr(v) complex forms from the chromate-glutathione reaction in water”, Journal of The American Chemical Society 2001, Vol 123, Iss 36, pp 8858.

Gaggelli E., D'Amelio N., Gaggelli N., Valensin G., “Metal ion effects on the cis/trans isomerization equilibrium of proline in short-chain peptides: A solution NMR study”, Chembiochem 2001, Vol 2, Iss 7-8, pp 524-529.

Gaggelli N., Gaggelli E., Valensin D., Valensin G., Jezowska-Bojczuk M., Kozlowski H., “Structural and dynamical features of the lincomycin-Cu(II) complex in water solution”, Journal of Inorganic Biochemistry 2001, Vol 86, Iss 1, pp 226.

Garavelli M., Bernardi F., Moliner V. and Olivucci M., “Intrinsically Competitive Photoinduced Polycyclization and Double Bond Shift via a Boat-like Conical Intersection”, Ang. Chem. Int. Ed. 2001, 40, 1466-1468.

Garavelli M., Bernardi F., Olivucci M., Bearpark M., Klein S. and Robb M.A., “Dynamics Simulation of the Photolysis of s-cis Butadiene”, J. Phys. Chem A. 2001 105, 11496-11504.

Garavelli M., Page C., Celani P., Olivucci M., Fuß W., Schmid W.E., Trushin S.A., “Reaction path modeling of a 200 fs photochemical electrocyclic reactions”. J. Phys. Chem. A 2001 105 4458-4469.

Gervasio F.L., Schettino V., Mangani S., Carloni P., Parrinello M., “Supraligand fine tuning of Zn-based enzymes: the case of horse liver alcohol. dehydrogenase”. (2001) Journal of Inorganic Biochemistry, 86, 233.

Guo S., F. Peters, F. Fabrizi de Biani, J.W. Bats, E. Herdtweck, P. Zanello and M. Wagner, “Electronic Communication in Oligometallic Complexes with Ferrocene-Based Tris(1-Pyrazolyl)Borate Ligands”, Inorg.Chem., 40, 4928 (2001).

Jezowska-Bojczuk M., Lesniak W., Bal W., Kozlowski H., Gatner K., Jezierski A., Sobczak J., Mangani S., Meyer-Klaucke W., “Molecular Mechanism of Hydrogen Peroxide Conversion and Activation by Cu(II)-Amikacin Complexes”. (2001) Chemical research in toxicology 14, 1353 – 1362.

Lami A., Petrongolo C., Santoro F. “Absorption, emission, and photoelectron continuos-wave spectra”, (pubblicazione su volume collettaneo, 2002) Volume: Conical Intersections: Electronic Structure, Dynamics, and Spectroscopy. Adv. Phys. Chem., Casa Editrice: World Scientific, Singapore, in corso di stampa (lettera di accettazione del 30-06-2001).

Lasker G.E. and Bastianoni S. Editors: “Advances in Ecosystems Research, Volume VI: Environmental Sustainability and Environmental Education”, 55; 2001.

Loiselle S., Bracchini L., Bonechi C., Rossi C., “Modelling Energy Fluxes in Remote Wetland Ecosystem with the Help of Remote Sensing”, Ecological Modelling, 2001, 145, 243-261.

Loiselle S., Carpaneto G., Hull V., Waller T., Rossi C., “Feedback analysis in reserve management: studying local myths using qualitative models”, Ecological Modelling 2000, 129, 25-37.

Loiselle S., Hull V., Galvez J., Rossi C., “Qualitative modelling tools for rural ecosystem managements, International Journal of sustainable development and world ecology”, 2001, 8, 1-14.

Loiselle S.A., Bracchini L., Bonechi C., Rossi C., "Modelling Energy Fluxes in Remote Wetland Ecosystem with the Help of Remote Sensing". Ecological Modelling, 2001, 145, 243-261.

Luchi and Ulgiati S. “Energy and Emergy Assessment of Municipal Waste Collection. A Case Study”. In: Emergy Synthesis. Theory and Applications of Emergy Methodology. M.T. Brown, S. Brandt-Williams, D. Tilley and S. Ulgiati Editors. Published by: The Center for Environmental Policy, University of Florida, Gainesville, FL, USA. Pp. 303-316, 2001.

Mangani S., Benvenuti M., “Metallo-enzyme mechanism from accurate structural data”. (2001) Journal of Inorganic Biochemistry, 86, 515.

Mapelli F., “Epistemologia del divenire. Un sapere per la sostenibilità”, “Oikos” 12, 2001, Greentime, Bologna, pp. 29-38.

Masia M., Bastianoni S. and Rustici M., “Recurrence quantification analysis of spatio-temporal chaotic transient in a closed unstirred Belousov-Zhabotinsky reaction” Physical Chemistry Chemical Physics, 3, 5516-5520, 2001.

Mlynarz P., Valensin D., Kociolek K., Zabrocki J., Olejnik J., Valensin G., Kozlowski H., “Co-ordination abilities of albumin like tripeptides towards CuII and NiII ions”, Journal of Inorganic Biochemistry 2001, Vol 86, Iss 1, pp 343.

Mlynarz P., Valensin D., Kozlowski H., Kowalik-Jankowska T., Otlewski J., Valensin G., Gaggelli N., “Co-ordination ability towards Cu-II of the 29-amino acid residue trypsin inhibitor of squash and two of its analogues”, Journal of The Chemical Society-Dalton Transactions 2001, Iss 5, pp 645-652.

Niccolucci V., Panzieri M. and Tiezzi E.B.P., “Environmental accounting methodologies: an overview”, in Villacampa Y., Brebbia C.A. and Usò J.L. (eds.) Ecosystem and sustainable development III (advanced in ecological sciences), WIT Press, Southampton, pp. 23-29, 2001.

Niccolucci V., Panzieri M., Porcelli M. e Ridolfi R., Emergy assessment of different strategies for municipal solid waste management in Italy, 2001, 2nd Biennial Emergy Analysis Research Conference”, Gainsville, Florida, USA, in press.

Panzieri M., Marchettini N. e Tiezzi E., “Studying the bioaccumulation of chemicals in aquatic organisms: PCBs in fish”; in Water Pollution VI (C.A. Brebbia), Wit Press, 299-306, Southampton 2001.

Picchi M.P., Porcelli M., Pulselli F.M. “Effects on the ecosystem of ceramics production in Sassuolo (Italy)”, Ecosystems and Sustainable Development III (Y. Villacampa, C.A. Brebbia, J.L. Usò eds.), WIT Press, Southampton, 2001, 89-95.

Pulselli F.M., Pulselli R.M., Picchi M.P. “Emergy evaluation of the “emternalities” in non-industrialized regions: the case of two mountain communities in Italy”, 2001, admitted for the Proceedings of the “2nd Biennal Emergy Analysis Research Conference”, Gainsville, Florida, USA.
Pulselli R.M., Rosini M. e Tiezzi E. “Oltre il progetto. Termodinamica e sistemi urbani”, Oikos, n. 12, ed. Greentime, Bologna, 2001 (pp. 91-105).

Robb, M.A. and Olivucci, M.J. “Photochemical Processes: Potential Energy Surface Topology and Rationalization using VB Arguments”. Photochem. Photobiol. A. Chemistry 2001, 114, 237-243.

Rossi C., Bonechi C., Martini S., Ricci M., “NMR structural studies of hyaluronic acid and derivatives”. XI International Symposium of Fine Chemistry and Functional Polymers (FCFP-XI), Hailar, Inner Mongolia, P.R. China, 28-31 July 2001.

Rossi C., Bonechi C., Martini S., Ricci M., Corbini G., Corti P. and Donati A., ”Ligand-Macromolecule Complexes: the affinity Index Determination by selective nuclear relaxation analysis”. Magnetic Resonance in Chemistry, 2001, 39 (8), 457-462.

Rossi C., Martini S., Ricci M., Bonechi C., “Metal-hyaluronic acids complexing behaviour as detected by NMR relaxation studies”. IX International Symposium on Macromolecule-Metal Complexes, New York, 19-23 Agosto 2001.

Seidel N., Jacob K., Fisher A., Pietzsch C., Zanello P. and Fontani M., ”Structural Studies and Solution Dynamics of Complexes of Magnesium with the N,N-Dimethylaminomethylferrocenyl Ligand”, Eur.J.Inorg.Chem., 145 (2001).
Seidel N., Jacob K., Zanello P. and Fontani M., “Study on Structural Properties and Solution Dynamics of Zinc Complexes with the N,N-Dimethylaminomethylferrocenyl Ligand”, J.Organomet.Chem., 620, 243 (2001).

Seidel N., K. Jacob, A.K. Fisher, K. Merzweiler, C. Wagner, M. Fontani and P. Zanello, “[2-(N,N-Dymethylaminomethyl)Ferrocenyl] as a Ligand Towards Mercury”, J.Organomet.Chem., 630, 149 (2001).

Siemeling U., Kuhnert O., Neumann B., Stammler A., Stammler H.G., Bildstein B., Malun M. and Zanello P., “First Examples of a New Family of Redox-Functionalised Chelate Complexes Based on A 1,1’-Ferrocenediyl-Bridged Di(Amido) Ligand”, Eur.J.Inorg.Chem., 913 (2001).

Siemeling U., Vorfeld U., Neumann B., Stammler H.-G., Fontani M. and Zanello P., “Synthesis and Crystal Structure of 1,1’-Bis[4-(2,2’:6’,2”-Terpyridin-4’-Yl)Phenyl]Octamethylferrocene”, J.Organomet.Chem., 637-639, 733 (2001).

Sinicropi A., Pogni R., Basosi R., Robb M.A., Gramlich G., Nau W., Olivucci M. “Fluorescence Quenching via Sequential Hydrogen, Electron and Proton Transfer in the Proximity of a Conical Intersection”, Angewandte Chemie Int. Ed., 2001, 40 n. 22, 4185-4189, Angew. Chemie, 2001, 113 n. 22, 4313-4318.

Sinicropi A., Pogni R., Basosi R., Robb M.A., Gramlich G., Nau W.M., Olivucci M., “Fluorescence Quenching via Sequential Hydrogen, Electron, and Proton Transfer in the Proximity of a Conical Intersection”, Ang. Chem. Int. Ed. 2001 40, 4185-4189.

Tiezzi E. e Ferlaino F. (a cura di): Analisi emergetica della sostenibilità ambientale della Regione Piemonte e del Comune di Torino, IRES, Torino, 2001.

Tiezzi E. e Marchettini N., “Biodiversity is the core of sustainable development”; Proceedings Workshop “Environmental Sustainability of Development: Myth, Utopy or Reality?”, Genova, 2001.

Tiezzi E. e Marchettini N., “Biodiversity vs. clonation: a different way of modelling”; Ecosystems and Sustainable Development III, Advances in Ecosystems Science, (Y.Villacampa, C.A.Brebbia and J.L.Uso eds.), WIT Press, 359-65 Southampton, 2001.

Tiezzi E. e Marchettini N., “Ecological modelling in evolutive systems”; Proceedings International School Earth and Planetary Sciences, Pontignano (Siena), 215-226, 2001.

Tiezzi E. e Marchettini N., “GAIM: una visione d’insieme”; Atti Workshop CNR IGBP “Global Change”, CNR, Roma, 349-351, 2001.

Tiezzi E. e Marchettini N., “La sostenibilità e le questioni poste dalle leggi naturali”; Archivio di Studi Urbani e Regionali, anno XXXII - n° 71-72, 2001.

Tiezzi E. e Marchettini N., “Towards an evolutionary thermodynamics of ecosystems”; Ecosystems and Sustainable Development III (Y. Villacampa, C. A. Brebbia e J. L. Usò eds.), WIT press, 745-751, Southampton 2001.

Tiezzi E., (Introduzione di) Il fuoco nel cristallo; Atti Convegno Centro Internazionale Ricerche Pio Manzù, Rimini, 20,21,22 ottobre 2001, 1, 9-10, 2001.

Tiezzi E., “L’alba dell’uomo” (“The dawn of Mankind”), in Il fuoco nel cristallo, Atti Convegno Centro Internazionale Ricerche Pio Manzù, Rimini, 2, 77-83, 2001.

Tiezzi E., “La patata bollente della geotermia”; Amiata Storia e Territorio 37, 4, 2001.

Tiezzi E., “Sentieri della creatività. Un’interpretazione estetico-scientifica della natura”; Abitare la Terra 1, 10- 12, 2001.

Tiezzi E., “Tempi storici, tempi biologici: vent’anni dopo”; Donzelli, Roma, 2001.

Tiezzi E., Bastianoni S., Marchettini N., Niccolucci V., Panzieri M., Porcelli M., Pulselli F.M. “Analisi di Sostenibilità delle Comunità Montane del Metauro e del Catria-Cesano”, Edizione Oikos Marche, 2001.

Ulgiati S. and M. T. Brown. “Emergy Accounting of Human-Dominated, Large-Scale Ecosystems”. In: Thermodynamics and Ecological Modelling. S.E. Jørgensen Editor. Lewis Publishers, Boca Raton, FL, USA, pp. 63-113, 2001.

Ulgiati S., “A Comprehensive Energy and Economic Assessment of Biofuels: When “Green” Is Not Enough”. Critical Reviews in Plant Sciences, 20: 71-106, 2001.

Ulgiati S., “Energy, Emergy and Embodied Exergy: Diverging or Converging Approaches?” In: Emergy Synthesis. Theory and Applications of Emergy Methodology. M.T. Brown, S. Brandt-Williams, D. Tilley and S. Ulgiati Editors. Published by: The Center for Environmental Policy, University of Florida, Gainesville, FL, Pp. 15-32, 2001.

Ulgiati S., Brown M.T., Giampietro M., Herendeen R.A. and Mayumi K. (Editors). Advances in Energy Studies. Exploring Supplies, Constraints, and Strategies. SGE Publisher, Padova, Italy, 2001.

Valensin D., D'Amelio N., Gaggelli E., Gaggelli N., Valensin G., “NMR studies on the interaction of angiotensin II with fragment peptides of the rat angiotensin II receptor AT(1a)”, Journal Of Inorganic Biochemistry 2001, Vol 86, Iss 1, pp 466.

Valensin G., “NMR studies of the reductive pathways of chromate and of the natural chromium factor”, Journal of Inorganic Biochemistry 2001, Vol 86, Iss 1, pp 109.

Xin J., Reid S., Santoro F., Petrongolo C., “On the energy dependence of the hyperfine interaction in excited states of NO2'”, (pubblicazione su rivista, 2001), Journal of Chemical Physics, Vol.115, 8868 - 8875.

Zanello P., Cinquantini A., Fontani M., Giardiello M., Giorgi G., Landis C.R. and Kimmich B.F.M., “Redox Behavior of Boronato-Functionalized 1,1’-Bis(Diphenylphosphino)Ferrocenes”, J.Organomet.Chem., 637-639, 800 (2001).

2000

Albano V.G., Demartin F., Femoni C., Iapalucci M.C., Longoni G., Monari M., Zanello P., “Synthesis And Characterization Of New Paramagnetic Nickel Carbonyl Clusters Containing Antimony Atoms: X-Ray Structure of [Net3ch2ph]2[Ni15(m12-Sb)(CO)24] and [Net4]3[Ni10Sb2(m12-Ni)(CO)18]”, J.Organomet.Chem., 593-594, 325 (2000).

Altmann R., Gausset O., Horn D., Jurkshat K., Schürmann M., Fontani M. and Zanello P., “Novel Silicon- and Tin-Containing Ferrocenophanes and Related Compounds as Lewis Acids”, Organometallics, 19, 430 (2000).

Arduini A., Baglioni P., Bonechi C., Lonetti B., Pochini A., Rossi C., “Structure and Dynamics of p-tert-Butylcalix[n]arene Derivatives and Their Complexes”. XIX International Conference on Magnetic Resonance in Biological Systems, Firenze 20-25 Agosto 2000.

Basosi R., Vannuccini L. “Politiche Energetiche”, Costruire sostenibile, Alinea Ed., Saie, pp. 78-81, 2000.

Bastianoni S. and Tiezzi E., "Organisation pattern in the Venice lagoon ecosystem". Proceedings of Ecosummit 2000, 22-23, Halifax (Canada), June 18-22; 2000.

Bastianoni S., and N. Marchettini: “The problem of co-production in environmental accounting by emergy analysis”, Ecological Modelling, 129, 187-193; 2000.

Bastianoni S., C. Bonechi, A. Gastaldelli, S. Martini and C. Rossi: “Modelling interpretation of the kinetics of metabolic processes” In: “Chemistry at the Beginning of the Third Millennium”: Molecular Design, Supramolecules, Nanotechnology and Beyond”. A. Poggi (Eds.), Springer-Verlag, Berlin Heidelberg, 305-328; 2000.

Bastianoni S., Marchettini N. e Tiezzi E., “Indicatori di sostenibilità ambientale”; in Il Monitoraggio Ambientale (a cura di N. Cardellicchio e S. Cavalli); Nuova Poligrafica Milanese, Milano, 253-68, 2000.

Bastianoni S., Niccolucci V. and Tiezzi E., “Comparison and integration of alternative methods for the assessment of sustainability”, in Lasker G. and Tiezzi E.B.P. (eds.), Proceedings 12th International Conference on Systems Research, Informatics and Cybernetics, The International Institute for Advanced Studies in Systems Research and Eco-Informatics vol. V Pub., University of Windsor, Ontario, Canada 15-19, 2000.

Benini S., Rypniewski W.R., Wilson K.S., Miletti S., Ciurli S. and Mangani S., “The Complex of Bacillus Pasteurii Urease with Acetohydroxamate Anion From X-Ray Data at 1.55 Å Resolution”. (2000) J. Biol. Inorg. Chem. 5, (1), 110-118.

Bernardi F., Olivucci M., Robb M.A., Vreven T. and Soto J., “An ab initio study of the Photochemical Decomposition of 3,3-Dimethyldiazirine”, J. Org. Chem. 2000, 65, 7847-7857.

Bildstein B., Malaun M., Kopacka H., Fontani M., Zanello P.,“Synthesis and Electrochemistry of Ferrocenyldiazabutadiene Metal Complexes (Fc-Dab)M(Co)4 [M = Cr, Mo, W]”, Inorg.Chim.Acta, 300-302, 16 (2000).

Blancafort L., Jolibois F., Olivucci M., Robb M.A., “Potential Energy Surface Crossings And The Mechanistic Spectrum For Intra-Molecular Electron Transfer (IET) In Organic Radical Cations”, J. Am. Chem. Soc. 2001, 123, 722-732.

Brasun J., Ciapetti P., Kozlowski H., Oldziej S., Taddei M., Valensin D., Valensin G., Gaggelli N., “Chiral peptide nucleic acids having thymine and adenine in their side chain as specific ligands for Ni-II and Cu-II”, JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS 2000, Iss 15, pp 2639-2644.

Busi E., Howes B.D., Pogni R., Basosi R., Tinoco R. and Vazquez-Duhalt R., “Modified Cytochrome H2O2 Systems: Spectroscopic EPR Investigation of the Biocatalytic Behaviour” J. Mol. Catal. B: Enzimatic, vol. 9, 39-48 (2000).

Cini R, Corsini M., Cavaglioni A., “Supramolecular Aggregates of Complex Cations via Unusual Purine-Purine Base Pairing in a New Organo-Rhodium(III) Compound Containing the Antileukemic Drug Purine-6-thione. Synthesis, X-Ray Structure of Trans(C,N7), trans(S,S), trans(P,N7)-[Rh(C6H5)(H1,H9-H2tp)2(PPh3)][Rh(C6H5)(H1,H9-H2tp)(H9-Htp)(PPh3)]Cl3•HCl•6H2O, and Density Functional Analysis of the {H2tp…Htp}- Base Pair”, Inorg. Chem. 2000, 39(25), 5874-5878.

Cini R., “Anti-inflammatory Compounds As Ligands in Metal Complexes As Revealed in X-ray Structural Studies”, Comments on Inorganic Chemistry, 2000, 22(3-4), 151-186.

Cini R., Chindamo D., Catenaccio M., Lorenzini S., Marcolongo R., “Density Functional Geometry Optimization and Energy Calculations of Calcium(II)-triphosphate Complexes. Polyphosphates as Possible Dissolving Agents for Calcium Pyrophosphate Dihydrate Crystals in Chondrocalcinosis Disease” J. Biomol. Struct. & Dyn. 2000, 18(1), 155-168.

Cini R., Grabner S., Bukovec N., Cerasino L., Natile G, “Synthesis and Structural Characterization of a New Form of (1,2-diaminoethane)bis(acyclovir)platinum(II). Correlation Between the Puckering of the Carrier Ligand and the Canting of the Nucleobasies”, European Journal of Inorganic Chemistry, 2000, 1601-1607.

Cini R., Pifferi C., “Mer-[triclorotris(thiazole)ruthenium(III)]”, Acta Crystallographica, 2000, 56(19), e439-e440.

Delfini M., Gianferri R., Dubbini V., Manetti C., Gaggelli E., Valensin G., “H-1 NMR relaxation investigation of inhibitors interacting with Torpedo californica acetylcholinesterase”, JOURNAL OF MAGNETIC RESONANCE 2000, Vol 144, Iss 1, pp 129-133.

Ding L., Fabrizi de Biani F., Bolte M., Zanello P. and Wagner M., “Reactivity of Ferrocenylboranes: Rearrangements Versus Electron Transfer Reactions”, Organometallics, 19, 5763 (2000).

Fernández E., Blancafort L., Olivucci M. and Robb M.A., “Intramolecular Electron Transfer: Independent (Ground State) Non-adiabatic and Adiabatic Reaction Pathways in Bis(hydrazine) Radical Cations”. J. Am. Chem. Soc. 2000 122, 7528-7533.

Gaggelli E., D'Amelio N., Gaggelli N., Valensin G., “Calcium ions affect the exchange network but not the structure of a small peptide (melanostatin) in solution: A H-1 and C-13 NMR spectroscopic study”, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 2000, Iss 8, pp 1699-1706.

Garavelli M., Smith B.R., Bearpark M.J., Bernardi F., Olivucci M. and Robb M.A., “Relaxation Paths and Dynamics of Photoexcited Polyene Chains: Evidence for Creation and Annihilation of Neutral Soliton Pairs”. 2000, J. Am. Chem. Soc. 122, 5568-5581.

Gonzalez-Luque R., Garavelli M., Bernardi F., Merchan M., Robb M.A. and Olivucci M. “Computational Evidence in Favour of a Two-State Two-Mode Model of the Retinal Chromophore Photoisomerization”. Proc. Nat. Acad. Sci USA 2000, 97, 9379-9384.

Guerri A., Briganti F., Scozzafava A., Supuran C.T., Mangani S., “Mechanism of Cyanamide Hydration Catalyzed by Carbonic Anhydrase II Suggested by Cryogenic X-ray Diffraction”. (2000) Biochemistry 39, 12391-12397.

Hamilton D.G., Montalti M., Prodi L., Fontani M., Zanello P. and Sanders J.K.M., “Photophysical and Electrochemical Characterisation of the Interactions between Components in Neutral p-Associated [2] Catenanes”, Chem.Eur.J., 608 (2000).

Jacob K., Seidel N., Voigt F., Fisher A., Pietzsch C., Holecek J., Lycka A., Fontani M., Grigiotti E. and Zanello P., “Heterobimetallorganische 1,2-(N,N-Dimethylaminomethyl)-Ferrocenyl-Derivate des Vier- und Zweiwertigen Zinns: Synthesen, Charakteristika und Kristallstrukturen”, J.Prakt.Chem., 342, 574 (2000).

Jolibois, F., Bearpark, M. J., Stéphane Klein, S., Olivucci, M. and Robb, M.A.J. “A Three-State Non-Adiabatic Model for Intramolecular Electronic Energy Transfer (IEET) in 9-Anthryl-1'-Naphthyl-Alkanes Studied by MMVB Dynamics”. Am. Chem. Soc. 2000 122, 5801-5810.

Lafuente P., Novoa J.J., Bearpark M.J., Celani P., Olivucci M., Robb M.A. “A computational study of the Dougherty model for the prediction of high-spin states in organic chemistry”. Theor Chem Acc 1999 1-6, 309-316.

Long N.J., A.J. Martin, A.J.P. White, D.J. Williams, M. Fontani, F. Laschi and P. Zanello, “Synthesis and Characterisation of Unsymmetrical Metal (Ruii, Osii) and Ferrocenyl Complexes of 1,3,5-Triethynylbenzene”, J.Chem.Soc., Dalton Trans., 3387 (2000).

Marchettini N., Panzieri M., Niccolucci V. and Bastianoni S., “Valutazione della performance ambientale di quattro famose produzioni di vini italiani: Chianti, Brunello, Nobile e Barbera”, “Oikos”, Greentime, Bologna, 9, pp. 57-65, 2000.

Messori L., F. Abbate, G. Marcon, P. Orioli, M. Fontani, E. Mini, T. Mazzei, S. Carotti, T. O’Donnell and P.Zanello, “Gold(Iii) Complexes as Potential Antitumor Agents: Solution Chemistry and Cytotoxic Properties of Some Selected Gold(Iii) Compounds”, J.Med.Chem., 43, 3541 (2000).

Mlynarz P., Gaggelli N., Panek J., Stasiak M., Valensin G., Kowalik-Jankowska T., Leplawy M.L., Latajka Z., Kozlowski H., “How the alpha-hydroxymethylserine residue stabilizes oligopeptide complexes with nickel(II) and copper(II) ions”, Journal of The Chemical Society-Dalton Transactions 2000, Vol 7, pp 1033-1038.

Monzani E., G.J. Anthony, A. Koolhaas, A. Spandre, E. Leggieri, L. Casella, M. Gullotti, G. Nardin, L. Randaccio, M. Fontani, P. Zanello, J. Reedijk, “Binding of Nitrite and its Reductive Activation to Nitric Oxide at Biomimetic Copper Centers”, JBIC, 251 (2000).

Niccolucci V., Principi I., Pulselli F.M. “Indicatori Termodinamici per un’Analisi di Sostenibilità Ambientale: il Caso della Provincia di Viterbo”. Atti, Vol. II - Poster, XX Congresso della Società Chimica Italiana, Rimini, 4-9 Giugno 2000.

Odum H.T., M.T. Brown and S. Ulgiati. Ecosystems as Energetic Systems. In: Handbook of Ecosystem Theories and Management. S.E. Jørgensen and F. Müller Editors. Lewis Publishers, Boca Raton, FL, USA, pp. 281-302, 2000.

Olivucci M., Robb M.A. and Bernardi F., “Calculation of excited state conformational properties”. In Conformational Analysis of Molecules in Excited States J. Waluk Ed., Wiley-VCH Publishers, New York (2000) 297-366.

Osella D., Ferrali M., Zanello P., Laschi F., Fontani M., Nervi C. and Cavigliolo G., “On the Mechanism of the Antitumor Activity of Ferrocenium Derivatives”, Inorg.Chim.Acta, 306, 42 (2000).

Page C.S., and Olivucci M., Merchán, M. “A Theoretical Study of the Low-Lying Excited States of the Anionic and Protonated Ionic Forms of Urocanic”, J. Phys. Chem. A 2000, 104, 8796-8805.

Petrongolo C., Santoro F. “Quantum calculations of spectral and dynamical properties of NO2” (opera multimediale, 2000) , 20min, Casa Editrice: ECCOMAS 2000, European Conference on Computational Methods in Applied Sciences and Engineering, Barcelona, Spagna, a cura di C. Petrongolo.

Petrongolo C., Schatz G.C. “Quantum scattering study of collisional energy transfer in He + NO2: The importance of the vibronic mixing” (pubblicazione su rivista, 2000) Journal of Chemical Physics, Vol.112, 5672 - 5678.

Pifferi C., Picchi M.P., Cini R., “Vanadium Complexes as Models for Vanadium-Species of Marine Organisms. Synthesis, X-ray Structure of oxo(O,O-sulfate)(2,2’:6’,2”-terpyridine)vanadium(IV) hydrate, and Density Functional Analysis of Vanadyl Complexes”. Polyhedron 2000, 19(1), 69-76.

Pogni R., Baratto M.C., Diaz A. and Basosi R., “EPR Characterization of Mono(Thiosemicarbazones) Copper(II) Complexes. Note II” J.Inorg. Biochem., 79/1-4, 333-337 (2000).

Robb M.A., Garavelli M., Olivucci M. and Bernardi F. “A Computational Strategy for Organic Photochemistry”. In Reviews in Computational Chemistry, K.B. Lipkowitz and D.B. Boyd, Eds., Wiley-VCH Publishers, New York, Vol. 15 (2000), 87-146.

Sanchez-Galvez A., Hunt P., Robb M.A., Olivucci M., Vreven T. and Schlegel. H.B.J. “Ultrafast Radiationless Deactivation of Organic Dyes: Evidence for a Two-state Two-mode Pathway in Polymethine Cyanines”. Am. Chem. Soc. 2000 112, 2911-2924.

Santoro F., Petrongolo C., Granucci G., Persico M. “Quantum and semiclassical dynamics of the Franck-Condon wave packet on the coupled surfaces of the NO2 X2A'/A2A' conical intersection” (pubblicazione su rivista, 2000) Chemical Physics, Vol.259, 193 - 200.

Santoro F., Petrongolo C., Lami A. “Time- and frequency-resolved spontaneous emission: Theory and application to the NO2 X2A'/A2A' conical intersection” (pubblicazione su rivista, 2000) Journal Of Chemical Physics, Vol.113, 4073 – 4082.

Schneider J.J., Hagen J., Spickermann D., Bläser D., Boese R., Fabrizi de Biani F., Laschi F., Zanello P., “Synthesis, Structure, and Spectroelectrochemical Investigation of Novel Ternary Co/S(Se)/Sn Clusters Derived From Binary Cobalt Stannanediyl Complexes”, Chem.Eur.J., 6, 237 (2000).

Schneider J.J., Spickermann D., Labahn T., Magull J., Fontani M., Laschi F. and Zanello P., “Mono-, Di-, and Trimetallic Complexes of the Nonalternating Polycondensed p-Perimeter Decacyclene, C36h18: Synthesis, Structure, and Spectroelectrochemistry of [{(h5-Me4EtC5)Co}2(m-h5:h4-C36H18)]”, Chem.Eur.J., 6, 3686 (2000).

Sharma H.K., Pannell K.H., Ledoux I., Zyss J., Ceccanti A. and Zanello P., “Synthesis, Spectroscopy, Electrochemical Characterization, and Nonlinear Optical Properties of Ferrocenyloligosilanes: FcSinMe2n(C6H5) (n = 1-6) AND FcSi2Me4(C6H4-X) (X = m-CF3, p-Cl, p-Br, p-OMe, p-NMe2, p-CH=C(CN)2)”, Organometallics, 19, 770 (2000).

Sinicropi A., Pischel U., Basosi R., Nau W.M., Olivucci M., “Conical Intersections in Charge-Transfer Induced Quenching”, Ang. Chem. Int. Ed. 2000, 39, 4582-4586.

Sinicropi, Pischel U., Basosi R., Nau W.M., Olivucci M., “Conical Intersections in Charge-Transfer Induced Quenching”, Ang. Chem. Int. Ed. 2000, 39, 4582-4586.

Song L.C., Liu J.T., Hu Q.M., Wang G.F., Zanello P. and Fontani M., “Synthesis, Characterization, and Electrochemical Properties of Organotransition Metal Fullerene Derivatives Containing Dppf Ligands. Crystal Structures of fac-Mo(CO)3(dppf)(CH3CN), W(CO)4(dppf), AND mer-W(CO)3(dppf)(h2-C60)”, Organometallics, 19, 5342 (2000).

Song L.C., Liu P.C., Hu Q.M., Zhu Y.H., Zanello P., Fontani M., “Synthesis of two Pentaarylated [60]Fullerene Derivatives Ar5C60H(Ar = p-MeC6H4, m-MeC6H4) and their Novel Electrochemical Properties”, Chin.J.Chem., 18, 395 (2000).

Tiezzi E. (a cura di): Gli indicatori di sostenibilità: un manuale; Dipartimento di Scienze e Tecnologie Chimiche e dei Biosistemi, Siena, 2000.

Tiezzi E. e Cassigoli R., "I venti e la rotta". Dialogo sulla terra nel XXI secolo; Edizioni Polistampa, Firenze, 2000.

Tiezzi E. e Marchettini N., “Biotecnologie? No, grazie!”; Oikos 10, 15-19, 2000.

Tiezzi E. e Marchettini N., “Thermodynamic indicators for environmental sustainability”; Atti XXII National Congress on Calorimetry, Thermal Analysis and Chemical Thermodynamics, Camogli (Genova), 86, 2000.

Tiezzi E., “Gli apprendisti stregoni dei cibi transgenici”; Oikos 9, 9-10, 2000.

Tiezzi E., “Le basi scientifiche dello sviluppo sostenibile”; Il Geologo 40, 12-14, 2000.

Tiezzi E., “Principi di sostenibilità ambientale”; in Primo rapporto sullo stato dell’Ambiente nella provincia di Ravenna (a cura di AA. VV.), Assessorato Ambiente, Ravenna, 161-71, 2000.

Tiezzi E., Bastianoni S., Marchettini N., Niccolucci V., Panzieri M., Porcelli M., Pulselli F.M. “Analisi di Sostenibilità della Provincia di Viterbo e di alcuni suoi Comuni”, Edizione Banca di Viterbo Credito Cooperativo, 2000.

Voigt F, K. Jacob, N. Seidel, A. Fisher, C. Pietzsch and P. Zanello, “Heterobimetallische Komplexe des Bors und Aluminiums mit dem 2-(Dimethylaminomethyl)Ferrocenyl-Liganden: Synthesen, Charakteristika und Kristallstrukturen”, J.Prakt.Chem., 342, 666 (2000).

Zanello P., “Electrochemical and Structural Aspects of Metallofullerenes”, in “Chemistry at the Beginning of the Third Millennium”, L. Fabbrizzi and A. Poggi, eds. Springer, 2000, pp. 247-278.

Zanello P., Laschi F., Cinquantini A., Fontani M., Tang K., Jin X. and Li L., “The Redox Behaviour of the Family (C60)[Mo(CO)2(phen)(dbm)]n (n = 1-3). A Comparison with the Analog (h2-C70)[Mo(CO)2(phen)(dbm)] (phen = 1,10-Phenanthroline, dbm = Dibutyl Maleate)”, Eur.J.Inorg.Chem., 1345 (2000).

Zanello P., Laschi F., Fontani M., Song L.C., Zhu Y.H., “Redox Behaviour of the Molybdenum and Tungsten Metallafullerenes Mo(CO)3(dppe)(h2-C60) (dppe = bis-(1,2-diphenylphosphino)ethane) and W(CO)3(dppb)(h2-C60) (dppb = bis-(1,2-diphenylphosphino)benzene)”, J.Organomet.Chem., 593-594, 7 (2000).

1999

Bachert I., Braunstein P., McCart M.K., Fabrizi de Biani F., Laschi F., Zanello P., Kickelbick G., Schubert U., “Synthesis, Structure and Electrochemical Studies of the First Mixed-Metal Clusters With the P-N-P Assembling Ligands (Ph2P)2NH(dppa), (Ph2P)2N(CH3)(dppam) AND (Ph2P)2N(CH2)3Si(OEt)3(dppaSi)”, J.Organomet.Chem., 573, 47 (1999).

Banci L., Bertini I., Del Conte R., Fadin R., Mangani S. and Viezzoli M.S., “The solution structure of a monomeric, reduced copper,zinc superoxide dismutase bearing the same charge as the native protein”. (1999) J. Biol. Inorg. Chem. 4,(6), 795-803.

Bastianoni S., Donati A., Gastaldelli A., Marchettini N., Martini S. and Rossi C.: “A modellistic view of the kinetics of metabolic processes: differences in the glucose and xylose degradation pathway”. Chemical Physics Letters, 310, 38-42; 1999.

Bastianoni S., Donati A., Marchettini N., Niccolucci V., Porcelli M. and Tiezzi E., “Ecological modelling of waste management based on sustainability indicators”. Annali di Chimica 89, 655-659 (1999).

Bastianoni S., Martini S., Porcelli M. and Rossi C., “Modelling the complex behavior of microorganisms”. In “Tempos in Science and Nature. Structures, Relations and Complexity”, C. Rossi, S. Bastianoni, A. Donati and N. Marchettini eds., Annals of the New York Academy of Sciences; 879, 387-391; 1999.

Bastianoni S., Niccolucci V., Nora E., Panzieri M., Porcelli M., Rompianesi G. and Tiezzi E., Le mappe territoriali di sostenibilità: la Provincia di Modena; Atti del Convegno Internazionale "Agenda XXI Regionale Ambiente e Sviluppo Sostenibile"; Genova, 13-15 Ottobre 1999.

Bastianoni S., Porcelli M. and Tiezzi E.: "Modelling the effect of global warming on an aquatic ecosystem in central Italy". The Second International Conference on Ecosystems and Sustainable Development, 51, Lemnos (Grecia), May 31 - June 2, 1999.

Bastianoni S., Porcelli M. and Tiezzi E.: “Sustainable development models for the analysis of the Province of Modena (Italy). In “Ecosystems and Sustainable Development II”, edited by C.A. Brebbia and J.L. Usò. WIT press, Southampton, UK. 185-193; 1999.

Bastianoni S., Porcelli M. e Tiezzi E., “Sustainable development models for the analysis of the Province of Modena (Italy)”; in Ecosystems and Sustainable Development II. Advances in Ecological Science (a cura di C. A. Brebbia e J. L. Usò), WIT press, Southampton (G. B.), 185-93, 1999.

Bearpark M.J., Celani P., Olivucci M., Robb M.A., Bernardi F. “B and CASSCF study”. Mol. Phys. 1999 96 645-652.

Bellucci C., Cini R., “Synthesis and Structural Characterization of Ruthenium(II) Complexes with Triphenylstibine, 1,9-Dimethylpurine-6-tione, 3,5-Dimethylpyridine and 1,4-Pyrazine”, J. Inorg. Biochem. 1999, 76, 243-250.

Bender R., Braunstein P., Bouaoud S.E., Merabet N., Rouag D., Zanello P. and Fontani M., “First Platinum Clusters Containing a Direct Pt-Si Bond: Molecular Structure of [Pt3{Si(OSiMe3)3}(m-PPh2)3(PPh3)2] and Electrochemical Studies”, New J.Chem., 23, 1045 (1999).

Benini S., Rypniewski W.R., Wilson K.S., Miletti S., Ciurli S. and Mangani S., “A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels”. (1999) Structure 7(2), 205-216.

Benvenuti M., Briganti F., Scozzafava A., Golovleva L., Travkin V., Mangani S. “Crystallization and preliminary crystallographic analysis of the Hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E: A novel dioxygenase involved in the biodegradation of polychlorinated aromatic compounds”. (1999) Acta Cryst. D55, 901-903.

Bergamini P., Fabrizi de Biani F., Marvelli L., Mascellani N., Peruzzini M., Rossi R. and Zanello P., “Substitution of Labile Triflate in [(Triphos)Re(Co)2(Otf)]: A New Synthetic Route to Mononuclear and Dinuclear Rei Complexes”. New J.Chem., 207 (1999).

Bianchini C., Lee H.M., Meli A., Moneti S., Vizza F., Fontani M. and Zanello P., “Copolymerization of Carbon Monoxide with Ethene Catalyzed by Palladium(Ii) Complexes Of 1,3-Bis(Diphenylphosphino)Propane Ligands Bearing Different Substituents on the Carbon Backbone”, Macromolecules, 32, 4183 (1999).

Bildstein B., Malaun M., Kopacka H., Wurst K., Mitterböck M., Ongania K.-H., Opromolla G. and Zanello P., “N,N’-Diferrocenyl-N-Heterocyclic Carbenes and their Derivatives”, Organometallics, 18, 4325 (1999).

Bildstein B., Schweiger M., Angleitner H., Kopacka H., Wurst K., Ongania K.-H., Fontani M. and Zanello P., “Tetraferrocenyl[5]Cumulene, (Fc)2C=C=C=C=C=C(Fc)2: Synthesis, Electrochemistry, And Reactivity, Including Nichel(0)-Promoted [3]Ferrocenophane Formation and [2+2]Cycloaddition with Fulllerene C60” Organometallics, 18, 4286 (1999).

Blancafort L., Adam W., González D., Olivucci M., Vreven T. and Robb M. “Theoretical Study of the 1,2 Rearrangement of Housane Radical Cations: Key Role of a Transient Cyclopentane-1,3-diyl Intermediate A” J. Am. Chem. Soc. 1999, 121, 10583-10590.

Briganti Fabrizio, Mangani Stefano, Scozzafava Andrea, Vernaglione Guido and Supuran Claudiu T., “Carbonic anhydrase catalizes cyanamide hydratation to urea: Is it mimicking the physiological reaction?” (1999) J. Biol. Inorg. Chem.. 4, 528-536.

Brown M.T. and S. Ulgiati. Emergy Evaluation of the Biosphere and Natural Capital. Ambio, 28(6): 486-493, September 1999.

Buenker, Y. Li, G. Hirsch, Petrongolo C., Theodorakopoulos J., Petsalakis I. “Configuration interaction calculations of nonadiabatic effects and applications for predissociation and strong vibronic coupling” (atto di convegno, 1999) , 154 - 155, 218th ACS National Meeting, New Orleans (USA) dal 7/8/1999 al 11/8/1999.

Busi E., Pogni R., Basosi R., “The Biodegradation of Aromatic Pollutants by Heme Protein- H2O2 System: an EPR Spin Trapping Study”, Current Topics in Biophysics, vol.23(1), 97-103 (1999).

Calderoni F., Demartin F., Fabrizi de Biani F., Femoni C., Iapalucci M.C., Longoni G. and Zanello P., “Electron-Sink Behaviour of the Carbonylnickel Clusters [Ni32C6(CO)36]6- and [Ni38C6(CO)42]6-: Synthesis and Characterisation of the Anions [Ni32C6(CO)36]n- (n = 5-10) and [Ni38C6(CO)42]n- (n = 5-9) and Crystal Structure of [PPh3Me]6[Ni32C6(CO)36].4 MeCN”, Eur.J.Inorg.Chem., 663 (1999).

Caneschi A., Fabrizi de Biani F., Kloo L., Zanello P., “Magnetic And Redox Properties In Hydroxo- And Alkoxo-Bridged Fe(Iii) Binuclear Complexes: A Density Functional Study” J.Quantum Chem., 72, 61 (1999).

Cappelli A., Anzini M., Vomero S., Canullo L., Mennuni L., Makovec F., Doucet E., Hamon M., Menziani M.C., De Benedetti P.G., Bruni G., Romeo M.R., Giorgi G. and Donati A., “Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy of arylpiperazine derivatives at the central 5-HT3 receptors”. Journal of Medicinal Chemistry 42(9), 1556-1575 (1999) Washington DC. (USA).

Cini R., “Molecular Orbital Study of Complexes of Zinc(II) with Sulphide, Thiomethanolate, Thiomethanol, Dimethylthioether, Thiophenolate, Formiate, Acetate, Carbonate, Hydrogen Carbonate, Iminomethane and Imidazole: Relationships with Structural and Catalytic Zinc in Some Metallo-Enzymes”. J. Biomol. Struct & Dyn., 1999, 16, 1225-1237.

Cini R., Cavaglioni A. “New Synthetic Route, X-Ray Structure and Molecular Orbital Analysis for trans, trans-dichloro-bis(triphenylphosphine)(phenyl)Rhodium(III). Do Agostic Rh…H(PPh3), Hydrogen Bond (Rh)Cl…H(PPh3) or Steric Intramolecular Interactions Prevail?” Inorganic Chemistry, 1999, 38, 3751-3754.

Cini R., Cavaglioni A. e Tiezzi E., “X-ray structures of trans-dichloro (4-methylpyrimidine) (1-phenyl) bis (pyridine)rhodium (III) hydrate and trans-dichloro (phenyl) tris (triphenylstibine) rhodium (III) ethlylacetate solvate. Molecular Orbital Analysis of trans-dichloro (4-methylpyrimidine) (1-phenyl) bis (pyridine) rhodium (III)”; Polyedron 18 (5), 669-78, 1999.

Cini R., Cavaglioni A., Intini F.P., Fanizzi F.P., Pacifico C., Natile G., “Synthesis and X-Ray Crystal Structure of trans-dichloro(1-ciano-2,2-dimethylpropane)(1-imino-1-hydroxy-2,2-dimethylpropane)platinum(II)”. Polyhedron, 1999, 18, 1863-1868.

Cini R., Cavaglioni A., Tiezzi E., “X-ray Structures of trans-dichloro(4-methylpyrimidine)(?1-phenyl)bis(pyridine)rhodium(III) hydrate and trans-dichloro(phenyl)tris(triphenylstibine)rhodium(III) ethylacetate solvate. Molecular Orbital Analysis of trans-dichloro(4-methylpyrimidine)(?1-phenyl)bis(pyridine)rhodium(III)”. Polyhedron, 1999, 18, 669.

Cini R., Pifferi C., “Supramolecular networks via hydrogen bonding and stacking interactions for adenosine 5’-diphosphate. Synthesis and crystal structure of diaqua(2,2’:6’,2”-terpyridine)copper(II) (adenosine 5’-diphosphate(3-))(2,2’:6’,2”-terpyridine)rameate(II) (H2adenosine 5’-diphospate(1-)) hexadecahydrate and density functional geometry optimization analysis of copper(II)- and zinc(II)-pyrophosphate complexes”. J. Chem. Soc., Dalton. Trans., 1999, 699.

Ciurli S., Benini S., Rypniewski W.R., Wilson K.S., Miletti S. and Mangani S., “Structure-Function Relationships In Urease”. (1999) Coord. Chem. Rev. 190, 331-355.

Ciurli S., Benini S., Rypniewski W.R., Wilson K.S., Miletti S., Mangani S., “Structure-based mechanism for urease: Why urea hydrolysis costs two nickels”. (1999) J. Inorg. Biochem. 74, 18-18.

Della Lunga G., Pogni R., Basosi R., “Statistical Analysis of Spin Hamiltonian Parameters Obtained from a Simulated Annealing Procedure for Liquid Phase Copper Complexes” Current Topics in Biophysics, vol.23(1), 125-130 (1999).

Diversi P., Fabrizi de Biani F., Ingrosso G., Laschi F., Lucherini A., Pinzino C. and Zanello P., “Synthesis and Some Reactivity of Cationic Alkyl Nitrosyl Iridium(Iii) Derivatives”, J.Organomet.Chem., 584, 73 (1999).

Donati A., Bonechi C., Picchi M.P. and Rossi C., “Complex Behaviour at Molecular Level: Conformational Analysis of Biopolymers in Solution”. Annals of New York Academy of Sciences, 879, 235-240 (1999), New York, (USA).

Fabrizi de Biani F., Femoni C., Iapalucci M.C., Longoni G., Zanello P. and Ceriotti A., “Redox Behaviour of [H6-nNi38Pt6(CO)48]n- (n = 4-6) Anions: A Series of Metal Carbonyl Clusters Displaying Electron-Sink Features”, Inorg.Chem., 38, 3721 (1999).

Ferraroni M., Rypniewski W.R., Wilson K.S., Viezzoli M.S., Banci L., Bertini I. and Mangani S., “The Crystal Structure of the Monomeric Human SOD Mutant F50E/G51E/E133Q at Atomic Resolution. The Enzyme Mechanism Revisited”. (1999) J. Mol. Biol. 288, (3), 413-426.

Furrer P., Billeci T.M., Donati A., Kojima C., Karwowski B., Sierzchala A., Stec W. and James T.L., “Structural effect of complete [Rp]-Phosphorothioate and substitutions in the DNA strand of a model antisense inhibitor-target RNA complex”. Journal of Molecular Biology 285, 1609-1622 (1999). Orlando, Florida (USA).

Gaggelli E., D'Amelio N., Maccotta A., Valensin G., “Calcium-binding properties and molecular organization of bradykinin - A solution H-1-NMR study”, European Journal Of Biochemistry 1999, Vol 262, Iss 2, pp 268-276.

Gaggelli E., Gaggelli N., Maccotta A., Valensin G., Marini D., Di Cocco M.E., Manetti C., Delfini M., “Delineation of conformational and structural features of the amikacin-Cu(II) complex in water solution by C-13-NMR spectroscopy”, Spectrochimica Acta Part A-Molecular And Biomolecular Spectroscopy 1999, Vol 55, Iss 1, pp 205-210.

Garavelli M., Bernardi F., Robb M.A. and Olivucci M. “The short-chain acroleiniminium and pentadieniminium cations: towards a model for retinal photoisomerization. A CASSCF/PT2 study”. Theochem 1999, 463, 59-64.

Garavelli M., Frabboni B., Fato M., Celani P., Bernardi F., Robb M.A. and Olivucci M. J. “Photochemistry of Highly Alkylated Dienes: Computational Evidence for a Concerted Formation of Bicyclobutane”. Am. Chem. Soc. 1999, 121, 1537-1545.

Garavelli M., Negri F., Olivucci M.J. “Initial excited state relaxation of the isolated 11-cis protonated Schiff base of retinal: evidence for in-plane motion from ab initio quantum-chemical simulation of the resonance Raman spectrum”. Am. Chem. Soc. 1999, 121, 1023-1029.

Gray S., C. Petrongolo, K. Drukker, G. C. Schatz - 'Quantum wavepacket study of nonadiabatic effects in O(1D)+H2-> OH + H' (pubblicazione su rivista, 1999) Journal Of Physical Chemistry A, Vol.103, 9448 - 9458.

Guerri Annalisa, Benvenuti Manuela, Mangani Stefano, “Probing the mechanism of human carbonic anhydrase II by atomic resolution X-ray crystallography”. Hasylab Annual Report (Part II), H. Baturnik, V. Lamzin, M. Willmans eds., DESY, Hamburg 1999, pp. 203-204.

Herberhold M., W. Milius, U. Steffl, K. Vitzithum, B. Wrackmeyer, R.H. Herber, M. Fontani and P. Zanello, “1,1’-Bis(Stannyl)- And 1,1’-Bis(Chlorostannyl)Ferrocenes Studied by Multinuclear Magnetic Resonance, Temperature-Dependent 57Fe- And 119Sn-Mössbauer Spectroscopy, and Electrochemistry”, Eur.J.Inorg.Chem., 145 (1999).

Howes B.D., Kuhlmeyer C., Pogni R. and Basosi R., “ An unusual temperature dependence of the EPR parameters of the copper(II) and oxovanadium(IV) bis-acetylacetonate complexes” Magnetic Resonance in Chem., vol.37, 538-544 (1999).

Long N.J., Martin J., Opromolla G., White A.J.P., Williams D.J. and Zanello P., “Synthesis and Characterisation of 1-(Diphenylphosphino)-1’-(Methylsulfanyl)Ferrocene and a Series of Metal (CuI, AgI)-Ferrocenylene Complexes”, J.Chem.Soc., Dalton Trans., 1981 (1999).

Longoni G., Femoni C., Iapalucci M.C. and Zanello P., “Electron-Sink Features of Homoleptic Transition-Metal Carbonyl Clusters”, in “Metal Clusters in Chemistry” P. Braunstein, L.A. Oro, P.R. Raithby Eds., Wiley-VCH, Vol. 2, 1999, 1137-1158.

Marchettini N. e Tiezzi E., “Ecodynamic modelling for sustainable development”; Proceedings 4th Systems Science European Congress, Diputacion de Valencia. Area informatica, Valencia, 1095-9, 1999.

Marchettini N., Barbucci R., Bonechi C., Donati A., Magnani A., Niccolucci V. and Tiezzi E., “Structural studies of Hyaluronic Acid oligomers and their complexes with copper in water by NMR, IR and Molecular Dynamics”. Macromolecular Chemistry and Physics, Macromol. Symp. 138, 203-208 (1999). Weinheim. Germania.

Marchettini N., Bastianoni S., Donati A., Martini S., Rossi C., “Modelli metabolici per lo studio dei processi di degradazione di glucosio e xilosio in colture batteriche”, 144, XXX Congresso Nazionale di Chimica Fisica, Firenze, Settembre 26-1 Ottobre, 1999.

Marchettini N., Mocenni C. and Niccolucci V., Modelling the effect of global warming on an aquatic ecosystem in central Italy, in Brebbia C.A., Usò J.L. (eds.), Ecosystem and sustainable development II (advanced in ecosystems sciences), WIT Press, Southampton, 81-9,1999.

Marchettini N., Mocenni C., Niccolucci V. e Tiezzi E., “Correlation between greenhouse effect and exceptionally high tides in Venice”; in Structures, Relations and Complexity (a cura di C. Rossi, S. Bastianoni, A. Donati e N. Marchettini), Annals of Academy of Sciences 879, 422-6, 1999.

Marchettini N., Niccolucci V. and Porcelli M., “Gestione sostenibile dei rifiuti: il Comune di Modena”; Atti del Convegno Internazionale “Agenda XXI Regionale Ambiente e Sviluppo Sostenibile”; Genova, 13-15 Ottobre 1999.

Monzani E., Battaini G., Perotti A., Casella L., Gullotti M., Santagostini L., Nardin G., Randaccio L., Geremia S., Zanello P. and Opromolla G., “Mechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex By Dioxygen”, Inorg.Chem., 38, 5359 (1999).

Nau W.M., Greiner G., Rau H., Wall J., Olivucci M., Scaiano J.C. “Fluorescence of 2,3-Diazabicyclo[2.2.2]oct-2-ene Revisited: Solvent-Induced Quenching of the n,p*-Excited State by an Aborted Hydrogen Atom Transfer”. The Journal of Physical Chemistry A 1999 103(11), 1579-1584.

Niccolucci V. and Tiezzi E., Indicatori di sostenibilità ambientale: applicazioni ad un sistema di produzione di riso, “Oikos”, Greentime, Bologna, 6, 53-60, 1999.

Niccolucci V., Porcelli M. e Tiezzi E., “Analisi termodinamica di sistemi aperti: un’applicazione delle funzioni exergia ed emergia”; Atti XXX Congresso Nazionale di Chimica Fisica, 157, 1999.

Page C.S. Merchán M., Serrano-Andrés L. and Olivucci M. “A Theoretical Study of the Low-Lying Excited States of trans- and cid-Urocanic Acid Page”, J. Phys. Chem. 1999 103, 9864-9871.

Palitzsch W., Pietzsch C., Puttnat M., Jacob K., Merzweiler K., Zanello P., Cinquantini A., Fontani M., Roewer G., “Bis-(1,2-N,N-Dimethylaminomethylferrocenyl)Dichlorosilane-Structure and Reactivity”, J.Organomet.Chem., 587, 9 (1999).

Panzieri M., Porcelli M. e Tiezzi E., “Un’agricoltura sostenibile: le ciliege di Vignola”; Oikos 7, 57-65, 1999.

Petrongolo C., Santoro F. “Nonadiabatic intramolecular dynamics of NO2” (atto di convegno, 1999) , 235 - 236, 217th American Chemical Society National Meeting, Anaheim (USA) dal 21/9/1999 al 25/9/1999.

Petrongolo C., Schatz G.C., “Nonadiabatic effects on the He + NO2 collisional energy transfer” (atto di convegno, 1999) , 569 - 570, COMET XVI, Assisi (Italia) dal 25/6/1999 al 28/6/1999.

Pogni R., Baratto M.C., Busi E. and Basosi R., "EPR and O2- Scavenger Activity: Cu(II)-Peptide Complexes as Superoxide Dismutase Models" Journal of Inorganic Biochemistry, Vol. 73, 157-165 (1999).

Pogni R., Busi E., Della Lunga G., Basosi R., “Complex Rotational Dynamics of the Cu(II)-BML System in Mobile and Viscous Media” Annals of the New York Academy of Sciences, Vol.879, 276-279 (1999).

Pogni R., Della Lunga G., Busi E. and Basosi R., “Lineshape analysis of heme proteins derived radicals based on simulation of EPR spectra” Journal of Quantum Chemistry, Vol.73, 249-254 (1999).

Porcelli M. and Bastianoni S., “Analisi termodinamica e valutazione della sostenibilità ambientaledi un sistema territoriale: lo studio della Provincia di Modena”. OIKOS, 8, 51-61, 1999.

Porcelli M. and Niccolucci V.,I rifiuti da problema a risorsa: il caso del Comune di Modena in Tiezzi E. e Marchettini N., Che cos’è lo sviluppo sostenibile?, Donzelli Editore, Roma, pp.139-147, 1999.

Rossi C., Bastianoni S., Bonechi C., Corbini G., Corti P. and Donati A., “Ligand-proteins recognition studies as determined by nuclear relaxation analysis”, Chemical Physics Letters, 310, 495-500; 1999.

Rossi C., Bastianoni S., Donati A. and Marchettini N. editors: “Tempos in Science and Nature. Structures, Relations and Complexity”, Annals of the New York Academy of Sciences; 879, 450 pp.; 1999.

Santoro F., Petrongolo C. “Lanczos calculation of the X2A1/A2B2 nonadiabatic Franck-Condon absorption spectrum of NO2” (pubblicazione su rivista, 1999) Advances In Quantum Chemistry, Vol.36, 323 – 339.

Santoro F., Petrongolo C. “Nonadiabatic radiative lifetimes and fluorescence spectra of NO2” (pubblicazione su rivista, 1999) Journal Of Chemical Physics, Vol.111, 9651 – 9659.

Santoro F., Petrongolo C. “Nonadiabatic wave packet dynamics of NO2 on the X2A'/A2A' conical intersection” (pubblicazione su rivista, 1999) Journal Of Chemical Physics, Vol.110, 4419 – 4427.

Santoro F., Petrongolo C. “Spettri di fluorescenza di NO2 risolti nel dominio del tempo e della frequenza” (atto di convegno, 1999) , 111 - 115, Chitel 99, Napoli (Italia) dal 20/9/1999 al 22/9/1999.

Santoro F., Petrongolo C. “X2A1/A2B2 conical intersection effects on the radiative lifetimes and fluorescence spectra of NO2” (atto di convegno, 1999) , 232 - 234, IV Convegno Sistemi Complessi: Strittura, proprietà, reattività e dinamica, Varenna (Italia) dal 10/6/1999 al 12/6/1999.

Schneider J.J., Czap N., Spickermann D., Lehmann C.W., Fontani M., Laschi F. and Zanello P., “Synthesis, Structure and Spectroelectrochemistry of bis(h6-1,4-tri-tert-butyl-benzene)chromium(0) and bis(h5-1,2,4-tri-tert-butyl-cyclopentadienyl)cobalt(II) Dia- and Paramagnetic Sandwich Complexes Derived from Sterically Highly Demanding p-Ligands”, J.Organomet.Chem., 590, 7 (1999).

Schneider J.J., Hagen J., Bläser D., Boese R., Fabrizi de Biani F., Zanello P., Krüger C., “Synthesis, Structure, Electrochemistry and Reactivity of the Bis(m-s Stannanediyl)Dinickel Butterfly Cluster [{{(SiMe3)2CH}Sn-Ni(h5-Cp)}2](Ni2-Sn2)”, Eur.J.Inorg.Chem., 1987 (1999).

Siemeling U., Vorfeld U., Neumann B., Stammler H.-G., Zanello P. and Fabrizi de Biani F., “Terpyridines Functionalised With Ferrocenyl Groups Of Different Redox Potential”, Eur.J.Inorg.Chem., 1 (1999).

Sossae R.C., Meyer J.F.C.A., Loiselle S., Rossi C., “Mathematical modelling and numerical simulation of space-dependent multispecies interactions”, Annals of the New York Academy of Sciences 1999, 879, pp. 440-443.

Tiezzi E. “I cambiamenti globali e le basi scientifiche dello sviluppo sostenibile”; Atti Convegno Internazionale Agenda XXI Regionale: Ambiente e Sviluppo Sostenibile, Genova, 1-4, 1999.

Tiezzi E. “Verso una gestione sostenibile dei rifiuti”; Quattro eRRe: Riduzione, Riuso, Riciclaggio, Recupero 14, 6-7, 1999.

Tiezzi E. e Marchettini N., “Che cos’è lo sviluppo sostenibile?”; Donzelli, Roma, 1999.

Tiezzi E. e Marchettini N., “Einstein's twins”; in Structures, Relations and Complexity (a cura di C. Rossi, S. Bastianoni, A. Donati e N. Marchettini); Annals of Academy of Sciences 879, 168-71 (1999).

Vannuccini L., Bracali M., Basosi R., “Relations between Energy Consumption and Air Quality in an Urban Environment: Spatial Scenarios of Emission Reduction” Annals of the New York Academy of Science, vol. 879 pp.444-447, 1999.

Wilsey S., Bernardi F., Olivucci M., Robb M.A., Murphy S., Adam W. “The Thermal Decomposition of 1,2-Dioxetane Revisited”. The Journal of Physical Chemistry A 1999 103 1669-1677.

Zanello P. and Fabrizi de Biani F., “Bimetallic Effects on the Redox Activity of Transition-Metal Carbonyl Clusters”, in “Metal Clusters in Chemistry” P. Braunstein, L.A. Oro, P.R. Raithby Eds., Wiley-VCH, Vol. 2, 1999, 1104-1136.

Zanello P., Laschi F., Fontani M., Mealli C., Ienco A., Tang K., Jin X. and Li L., “Redox Behavior of the Molybdenum and Tungsten Metallafullerenes M(h2-C60)(CO)2(phen)(dbm) (phen = 1,10-phenanthroline, dbm = dibutyl maleate): (Spectro)Electrochemistry and Theoretical Considerations”, J.Chem.Soc., Dalton Trans., 965 (1999).