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Results:
1-24
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Results: 24
Authors:
VISENTINI G
PAINELLI A
GIRLANDO A
FORTUNELLI A
Citation: G. Visentini et al., THE DIMER MODEL FOR KAPPA-PHASE ORGANIC SUPERCONDUCTORS, Europhysics letters, 42(4), 1998, pp. 467-472
Authors:
FORTUNELLI A
Citation: A. Fortunelli, PERTURBATION-RESPONSE THEORY AS A BASIS FOR THE CONTINUUM MODELS OF SOLVATION - INCLUSION OF THE POLARIZATION, Journal of molecular structure. Theochem, 428, 1998, pp. 9-25
Authors:
LEONI P
PASQUALI M
FORTUNELLI A
GERMANO G
ALBINATI A
Citation: P. Leoni et al., OXIDANT-INDUCED HYDRIDE ABSTRACTION FROM [PT(MU-PBU2T)(H)((PBU2H)-H-T)](2) YIELDING [PT-2(MU-PBU2T)(2)(H)((PBU2H)-H-T)(2)]C-3(CN)(5) - SPECTROSCOPIC, CRYSTALLOGRAPHIC, AND THEORETICAL COMPARISON OF THE STRUCTURES OF 2 TAUTOMERS, Journal of the American Chemical Society, 120(37), 1998, pp. 9564-9573
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, BEDT-TTF SALTS - MICROSCOPIC PARAMETERS FROM AB-INITIO CALCULATIONS, Synthetic metals, 85(1-3), 1997, pp. 1631-1632
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, AB-INITIO ESTIMATE OF HUBBARD-MODEL PARAMETERS - A SIMPLE PROCEDURE APPLIED TO BEDT-TTF SALTS, Physical review. B, Condensed matter, 55(24), 1997, pp. 16088-16095
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, ON THE AB-INITIO EVALUATION OF HUBBARD PARAMETERS .1. THE ANALYTICAL APPROACH IN THE ABSENCE OF ORBITAL RELAXATION, The Journal of chemical physics, 106(19), 1997, pp. 8041-8050
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, ON THE AB-INITIO EVALUATION OF HUBBARD-PARAMETERS .2. THE KAPPA-(BEDT-TTF)(2)CU[N(CN)(2)]BR CRYSTAL, The Journal of chemical physics, 106(19), 1997, pp. 8051-8058
Authors:
LEONI P
CHIARADONNA G
PASQUALI M
MARCHETTI F
FORTUNELLI A
GERMANO G
Citation: P. Leoni et al., SYNTHESIS, MOLECULAR AND ELECTRONIC-STRUCTURE OF THE FIRST HOMOLEPTICCOMPLEX OF PLATINUM WITH A SECONDARY PHOSPHINE, Inorganica Chimica Acta, 264(1-2), 1997, pp. 185-191
Authors:
FORTUNELLI A
Citation: A. Fortunelli, ON THE SOLVATION OF (QUASI-)DEGENERATE SOLUTES - A CONTINUUM ANALYSISBASED ON PERTURBATION-RESPONSE THEORY, Chemical physics letters, 248(1-2), 1996, pp. 50-56
Authors:
FORTUNELLI A
Citation: A. Fortunelli, A STUDY OF THE MBPT CORRELATION CORRECTIONS WITHIN THE POLARIZABLE CONTINUUM MODEL FOR SOLVATION, Journal of molecular structure. Theochem, 357(1-2), 1995, pp. 117-124
Authors:
FORTUNELLI A
SELMI M
Citation: A. Fortunelli et M. Selmi, ENTHALPIES OF FORMATION FROM THEORETICAL METHODS - A NEW APPROACH BASED ON DENSITY-FUNCTIONAL THEORY PLUS SEMIEMPIRICAL CORRECTIONS, Journal of molecular structure. Theochem, 337(1), 1995, pp. 25-30
Authors:
FORTUNELLI A
Citation: A. Fortunelli, SIMPLIFICATIONS IN THE THEORETICAL TREATMENT OF SOLVATION EFFECTS BASED ON THE QUADRATIC EXPANSION OF THE ENERGY, Journal of physical chemistry, 99(22), 1995, pp. 9056-9061
Authors:
ADAMO C
BARONE V
FORTUNELLI A
Citation: C. Adamo et al., VALIDATION OF SELF-CONSISTENT HYBRID DENSITY FUNCTIONALS FOR THE STUDY OF STRUCTURAL AND ELECTRONIC CHARACTERISTICS OF ORGANIC PI-RADICALS, The Journal of chemical physics, 102(1), 1995, pp. 384-393
Authors:
FORTUNELLI A
SALVETTI O
Citation: A. Fortunelli et O. Salvetti, AN ANALYSIS OF THE INTEGRAND OCCURRING IN CORRELATION-ENERGY FUNCTIONALS (VOL 52, PG 705, 1994), International journal of quantum chemistry, 55(6), 1995, pp. 493-493
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, THE ORBITAL RELAXATION - A POSSIBLE ORIGIN OF T-J-MODEL WITH LARGE-J, Solid state communications, 89(9), 1994, pp. 771-773
Authors:
ADAMO C
BARONE V
FORTUNELLI A
Citation: C. Adamo et al., DENSITY-FUNCTIONAL CALCULATIONS OF ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN BETA-KETOENOLYL RADICALS, Journal of physical chemistry, 98(35), 1994, pp. 8648-8652
Authors:
FORTUNELLI A
SALVETTI O
Citation: A. Fortunelli et O. Salvetti, AN ANALYSIS OF THE INTEGRATED OCCURRING IN CORRELATION-ENERGY FUNCTIONALS, International journal of quantum chemistry, 52(4), 1994, pp. 705-710
Authors:
FORTUNELLI A
Citation: A. Fortunelli, AB-INITIO CALCULATIONS OF ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN BETA-KETOENOLYL RADICALS, International journal of quantum chemistry, 52(1), 1994, pp. 97-108
THE IMPLEMENTATION OF DENSITY-FUNCTIONAL THEORY WITHIN THE POLARIZABLE CONTINUUM MODEL FOR SOLVATION
Authors:
FORTUNELLI A
TOMASI J
Citation: A. Fortunelli et J. Tomasi, THE IMPLEMENTATION OF DENSITY-FUNCTIONAL THEORY WITHIN THE POLARIZABLE CONTINUUM MODEL FOR SOLVATION, Chemical physics letters, 231(1), 1994, pp. 34-39
Authors:
FORTUNELLI A
SELMI M
Citation: A. Fortunelli et M. Selmi, DENSITY-FUNCTIONAL CALCULATIONS ON HYDROCARBON ISODESMIC REACTIONS, Chemical physics letters, 223(4), 1994, pp. 390-396
Authors:
FORTUNELLI A
SALVETTI O
Citation: A. Fortunelli et O. Salvetti, AB-INITIO CALCULATIONS OF ISOTROPIC HYPERFINE COUPLING-CONSTANTS IN BETA-KETOENOLYL RADICALS, Journal of molecular structure. Theochem, 106, 1993, pp. 89-92
Authors:
FORTUNELLI A
SALVETTI O
Citation: A. Fortunelli et O. Salvetti, RECURRENCE RELATIONS FOR THE EVALUATION OF ELECTRON REPULSION INTEGRALS OVER SPHERICAL GAUSSIAN FUNCTIONS, International journal of quantum chemistry, 48(4), 1993, pp. 257-265
Authors:
FORTUNELLI A
SALVETTI O
Citation: A. Fortunelli et O. Salvetti, A NUMERICAL-INTEGRATION SCHEME FOR THE EVALUATION OF CORRELATION-ENERGY FUNCTIONALS, International journal of quantum chemistry, 47(2), 1993, pp. 135-144
Authors:
FORTUNELLI A
PAINELLI A
Citation: A. Fortunelli et A. Painelli, INTERACTING ELECTRONS IN THE SOLID-STATE - THE ROLE OF ORBITAL RELAXATION, Chemical physics letters, 214(3-4), 1993, pp. 402-408
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