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Results: 1-25 | 26-31
Results: 1-25/31
A THEORETICAL-STUDY OF THE METHYL LIGATION IN TETRAAZA MACROCYCLE NICKEL-COMPLEXES WHICH MODEL THE ACETYL-COA SYNTHASE ACTIVE-SITE
Authors: DEGIOIA L FANTUCCI P
Citation: L. Degioia et P. Fantucci, A THEORETICAL-STUDY OF THE METHYL LIGATION IN TETRAAZA MACROCYCLE NICKEL-COMPLEXES WHICH MODEL THE ACETYL-COA SYNTHASE ACTIVE-SITE, Inorganica Chimica Acta, 273(1-2), 1998, pp. 379-387
AN AB-INITIO MO-LCAO INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF ORGANIC HYDROPEROXIDES AND PLATINUM(II) HYDROPEROXO COMPLEXES - A CONTRIBUTION TO THE KNOWLEDGE OF THE MECHANISM OF OLEFIN EPOXIDATION
Authors: FANTUCCI P LOLLI S PIZZOTTI M UGO R
Citation: P. Fantucci et al., AN AB-INITIO MO-LCAO INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF ORGANIC HYDROPEROXIDES AND PLATINUM(II) HYDROPEROXO COMPLEXES - A CONTRIBUTION TO THE KNOWLEDGE OF THE MECHANISM OF OLEFIN EPOXIDATION, Inorganica Chimica Acta, 270(1-2), 1998, pp. 479-487
QUANTUM-CHEMICAL STUDY OF ELECTRONIC AND DYNAMIC PROPERTIES OF METAL AND MIXED NONSTOICHIOMETRIC CLUSTERS
Authors: BONACICKOUTECKY V PITTNER J REICHARDT D FANTUCCI P KOUTECKY J
Citation: V. Bonacickoutecky et al., QUANTUM-CHEMICAL STUDY OF ELECTRONIC AND DYNAMIC PROPERTIES OF METAL AND MIXED NONSTOICHIOMETRIC CLUSTERS, Czechoslovak journal of Physics, 48(6-7), 1998, pp. 637-658
AB-INITIO MOLECULAR-DYNAMICS FOR DETERMINATION OF STRUCTURES OF ALKALI-METAL CLUSTERS AND THEIR TEMPERATURES BEHAVIOR - AN EXAMPLE OF LI-9(+)
Authors: BONACICKOUTECKY V REICHARDT D PITTNER J FANTUCCI P KOUTECKY J
Citation: V. Bonacickoutecky et al., AB-INITIO MOLECULAR-DYNAMICS FOR DETERMINATION OF STRUCTURES OF ALKALI-METAL CLUSTERS AND THEIR TEMPERATURES BEHAVIOR - AN EXAMPLE OF LI-9(+), Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1431-1446
AB-INITIO MONTE-CARLO - APPLICATION TO LI-8
Authors: JELLINEK J SRINIVAS S FANTUCCI P
Citation: J. Jellinek et al., AB-INITIO MONTE-CARLO - APPLICATION TO LI-8, Chemical physics letters, 288(5-6), 1998, pp. 705-713
AB-INITIO MOLECULAR-DYNAMICS BASED ON NONLOCAL DENSITY-FUNCTIONAL PROCEDURE WITH GAUSSIAN-BASIS - STUDY OF STRUCTURAL AND TEMPERATURE BEHAVIOR OF METALLIC CLUSTERS
Authors: REICHARDT D BONACICKOUTECKY V FANTUCCI P JELLINEK J
Citation: D. Reichardt et al., AB-INITIO MOLECULAR-DYNAMICS BASED ON NONLOCAL DENSITY-FUNCTIONAL PROCEDURE WITH GAUSSIAN-BASIS - STUDY OF STRUCTURAL AND TEMPERATURE BEHAVIOR OF METALLIC CLUSTERS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 40(1-4), 1997, pp. 486-489
AB-INITIO MOLECULAR-DYNAMICS STUDY OF SOLID-TO LIQUID-LIKE TRANSITIONS IN LI-9(-10, AND LI-11(+) CLUSTERS(), LI)
Authors: BONACICKOUTECKY V JELLINEK J WIECHERT M FANTUCCI P
Citation: V. Bonacickoutecky et al., AB-INITIO MOLECULAR-DYNAMICS STUDY OF SOLID-TO LIQUID-LIKE TRANSITIONS IN LI-9(-10, AND LI-11(+) CLUSTERS(), LI), The Journal of chemical physics, 107(16), 1997, pp. 6321-6334
AB-INITIO MO-LCAO INVESTIGATION OF THE STRUCTURE AND REACTIVITY TOWARDS ALKENES OF MODEL TUNGSTEN(VI) PEROXO COMPLEXES DERIVED FROM THE TETRAKIS (OXODIPEROXOTUNGSTO) PHOSPHATE(3-) COMPLEX, (PO4[W(O)(O-2)(2)](4))(3-)
Authors: FANTUCCI P LOLLI S VENTURELLO C
Citation: P. Fantucci et al., AB-INITIO MO-LCAO INVESTIGATION OF THE STRUCTURE AND REACTIVITY TOWARDS ALKENES OF MODEL TUNGSTEN(VI) PEROXO COMPLEXES DERIVED FROM THE TETRAKIS (OXODIPEROXOTUNGSTO) PHOSPHATE(3-) COMPLEX, (PO4[W(O)(O-2)(2)](4))(3-), Journal of catalysis, 169(1), 1997, pp. 228-239
DENSITY-FUNCTIONAL CALCULATIONS OF MAGNETIC EXCHANGE INTERACTIONS IN POLYNUCLEAR TRANSITION-METAL COMPLEXES
Authors: BENCINI A TOTTI F DAUL CA DOCLO K FANTUCCI P BARONE V
Citation: A. Bencini et al., DENSITY-FUNCTIONAL CALCULATIONS OF MAGNETIC EXCHANGE INTERACTIONS IN POLYNUCLEAR TRANSITION-METAL COMPLEXES, Inorganic chemistry, 36(22), 1997, pp. 5022-5030
AB-INITIO GRADIENT-CORRECTED DENSITY-FUNCTIONAL MOLECULAR-DYNAMICS - INVESTIGATION OF STRUCTURAL AND DYNAMICAL PROPERTIES OF THE LI-8 CLUSTER
Authors: REICHARDT D BONACICKOUTECKY V FANTUCCI P JELLINEK J
Citation: D. Reichardt et al., AB-INITIO GRADIENT-CORRECTED DENSITY-FUNCTIONAL MOLECULAR-DYNAMICS - INVESTIGATION OF STRUCTURAL AND DYNAMICAL PROPERTIES OF THE LI-8 CLUSTER, Chemical physics letters, 279(3-4), 1997, pp. 129-139
MOLECULAR MECHANICS ANALYSIS OF TET REPRESSOR TRP-43 FLUORESCENCE
Authors: ANTONINI PS HILLEN WF ETTNER N HINRICHS W FANTUCCI P DOGLIA SM BOUSQUET JA CHABBERT M
Citation: Ps. Antonini et al., MOLECULAR MECHANICS ANALYSIS OF TET REPRESSOR TRP-43 FLUORESCENCE, Biophysical journal, 72(4), 1997, pp. 1800-1811
AB-INITIO PREDICTIONS OF STRUCTURAL AND OPTICAL-RESPONSE PROPERTIES OF NA-N(- INTERPRETATION OF DEPLETION SPECTRA AT LOW-TEMPERATURE() CLUSTERS )
Authors: BONACICKOUTECKY V PITTNER J FUCHS C FANTUCCI P GUEST MF KOUTECKY J
Citation: V. Bonacickoutecky et al., AB-INITIO PREDICTIONS OF STRUCTURAL AND OPTICAL-RESPONSE PROPERTIES OF NA-N(- INTERPRETATION OF DEPLETION SPECTRA AT LOW-TEMPERATURE() CLUSTERS ), The Journal of chemical physics, 104(4), 1996, pp. 1427-1440
AXIAL IMIDAZOLE DISTORTION EFFECTS ON THE CATALYTIC AND BINDING-PROPERTIES OF CHELATED DEUTEROHEMIN COMPLEXES
Authors: CASELLA L MONZANI E FANTUCCI P GULLOTTI M DEGIOIA L STRINI A CHILLEMI F
Citation: L. Casella et al., AXIAL IMIDAZOLE DISTORTION EFFECTS ON THE CATALYTIC AND BINDING-PROPERTIES OF CHELATED DEUTEROHEMIN COMPLEXES, Inorganic chemistry, 35(2), 1996, pp. 439-444
AB-INITIO HARTREE-FOCK MOLECULAR-DYNAMICS WITH PARALLEL-PROCESSING - APPLICATION TO SMALL NEUTRAL AND CHARGED LI-N CLUSTERS
Authors: FANTUCCI P BONACICKOUTECKY V JELLINEK J WIECHERT M HARRISON RJ GUEST MF
Citation: P. Fantucci et al., AB-INITIO HARTREE-FOCK MOLECULAR-DYNAMICS WITH PARALLEL-PROCESSING - APPLICATION TO SMALL NEUTRAL AND CHARGED LI-N CLUSTERS, Chemical physics letters, 250(1), 1996, pp. 47-58
CONFORMATIONAL BEHAVIOR OF THE ANTINEOPLASTIC PEPTIDE DOLASTATIN-10 AND OF 2 MUTATED DERIVATIVES
Authors: FANTUCCI P MARINO T RUSSO N VILLA AM
Citation: P. Fantucci et al., CONFORMATIONAL BEHAVIOR OF THE ANTINEOPLASTIC PEPTIDE DOLASTATIN-10 AND OF 2 MUTATED DERIVATIVES, Journal of computer-aided molecular design, 9(5), 1995, pp. 425-438
THE NATURE OF THE PLATINUM-PHOSPHINE BOND - AN AB-INITIO HARTREE-FOCKAND DENSITY-FUNCTIONAL STUDY
Authors: FANTUCCI P POLEZZO S SIRONI M BENCINI A
Citation: P. Fantucci et al., THE NATURE OF THE PLATINUM-PHOSPHINE BOND - AN AB-INITIO HARTREE-FOCKAND DENSITY-FUNCTIONAL STUDY, Journal of the Chemical Society. Dalton transactions, (24), 1995, pp. 4121-4126
ON THE CONVERGENCE OF MANY-BODY EXPANSION OF THE POTENTIAL-ENERGY FORALKALI-METAL CLUSTERS
Authors: FANTUCCI P
Citation: P. Fantucci, ON THE CONVERGENCE OF MANY-BODY EXPANSION OF THE POTENTIAL-ENERGY FORALKALI-METAL CLUSTERS, Gazzetta chimica italiana, 125(3), 1995, pp. 137-143
THE GEOMETRIC STRUCTURES AND OPTICAL-RESPONSE PROPERTIES OF SMALL NANMG CLUSTERS
Authors: BONACICKOUTECKY V CESPIVA L FANTUCCI P FUCHS C GUEST MF KOUTECKY J PITTNER J
Citation: V. Bonacickoutecky et al., THE GEOMETRIC STRUCTURES AND OPTICAL-RESPONSE PROPERTIES OF SMALL NANMG CLUSTERS, Chemical physics, 186(2-3), 1994, pp. 275-287
AB-INITIO HARTREE-FOCK SELF-CONSISTENT-FIELD MOLECULAR-DYNAMICS STUDYOF STRUCTURE AND DYNAMICS OF LI-8
Authors: JELLINEK J BONACICKOUTECKY V FANTUCCI P WIECHERT M
Citation: J. Jellinek et al., AB-INITIO HARTREE-FOCK SELF-CONSISTENT-FIELD MOLECULAR-DYNAMICS STUDYOF STRUCTURE AND DYNAMICS OF LI-8, The Journal of chemical physics, 101(11), 1994, pp. 10092-10100
EFFECTIVE CORE POTENTIAL-CONFIGURATION INTERACTION STUDY OF ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL ANIONIC AG-N CLUSTERS - PREDICTIONS AND INTERPRETATION OF PHOTODETACHMENT SPECTRA
Authors: BONACICKOUTECKY V CESPIVA L FANTUCCI P PITTNER J KOUTECKY J
Citation: V. Bonacickoutecky et al., EFFECTIVE CORE POTENTIAL-CONFIGURATION INTERACTION STUDY OF ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL ANIONIC AG-N CLUSTERS - PREDICTIONS AND INTERPRETATION OF PHOTODETACHMENT SPECTRA, The Journal of chemical physics, 100(1), 1994, pp. 490-506
MOLECULAR MODELING OF HEME PEPTIDES - MOLECULAR-DYNAMICS SIMULATION OF MICROPEROXIDASE
Authors: RANGHINO G ANTONINI G FANTUCCI P
Citation: G. Ranghino et al., MOLECULAR MODELING OF HEME PEPTIDES - MOLECULAR-DYNAMICS SIMULATION OF MICROPEROXIDASE, Israel Journal of Chemistry, 34(2), 1994, pp. 239-244
SPECIAL ISSUE ON THE APPLICATIONS OF DENSITY-FUNCTIONAL THEORY - INTRODUCTION TO THE 1993 COMO MEETING
Authors: FANTUCCI P RUSSO N
Citation: P. Fantucci et N. Russo, SPECIAL ISSUE ON THE APPLICATIONS OF DENSITY-FUNCTIONAL THEORY - INTRODUCTION TO THE 1993 COMO MEETING, International journal of quantum chemistry, 52(4), 1994, pp. 693-694
DIRECT MINIMIZATION OF THE ENERGY IN DENSITY-FUNCTIONAL THEORY
Authors: FANTUCCI P POLEZZO S
Citation: P. Fantucci et S. Polezzo, DIRECT MINIMIZATION OF THE ENERGY IN DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 52(4), 1994, pp. 817-827
ELECTRONIC-STRUCTURE AND REACTIVITY OF DIOXYGEN PLATINUM COMPLEXES - AN AB-INITIO MO-LCAO STUDY
Authors: FANTUCCI P LOLLI S PIZZOTTI M
Citation: P. Fantucci et al., ELECTRONIC-STRUCTURE AND REACTIVITY OF DIOXYGEN PLATINUM COMPLEXES - AN AB-INITIO MO-LCAO STUDY, Inorganic chemistry, 33(13), 1994, pp. 2779-2789
THEORETICAL-STUDY OF THE REACTIVITY OF (PPH3)2PT(ETA-2-O2) WITH ACIDS
Authors: FANTUCCI P LOLLI S
Citation: P. Fantucci et S. Lolli, THEORETICAL-STUDY OF THE REACTIVITY OF (PPH3)2PT(ETA-2-O2) WITH ACIDS, Journal of molecular catalysis, 82(2-3), 1993, pp. 131-141
Risultati: 1-25 | 26-31