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Results:
1-23
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Results: 23
Authors:
AMOVILLI C
MENNUCCI B
FLORIS FM
Citation: C. Amovilli et al., MCSCF STUDY OF THE S(N)2 MENSHUTKIN REACTION IN AQUEOUS-SOLUTION WITHIN THE POLARIZABLE CONTINUUM MODEL, JOURNAL OF PHYSICAL CHEMISTRY B, 102(16), 1998, pp. 3023-3028
Authors:
CAMMI R
MENNUCCI B
TOMASI J
Citation: R. Cammi et al., ON THE CALCULATION OF LOCAL-FIELD FACTORS FOR MICROSCOPIC STATIC HYPERPOLARIZABILITIES OF MOLECULES IN SOLUTION WITH THE AID OF QUANTUM-MECHANICAL METHODS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(5), 1998, pp. 870-875
Authors:
CHAMPAGNE B
MENNUCCI B
COSSI M
CAMMI R
TOMASI J
Citation: B. Champagne et al., AN AB-INITIO TIME-DEPENDENT HARTREE-FOCK STUDY OF SOLVENT EFFECTS ON THE POLARIZABILITY AND 2ND HYPERPOLARIZABILITY OF POLYACETYLENE CHAINSWITHIN THE POLARIZABLE CONTINUUM MODEL, Chemical physics, 238(2), 1998, pp. 153-163
Authors:
CANCES E
MENNUCCI B
Citation: E. Cances et B. Mennucci, NEW APPLICATIONS OF INTEGRAL-EQUATIONS METHODS FOR SOLVATION CONTINUUM MODELS - IONIC-SOLUTIONS AND LIQUID-CRYSTALS, Journal of mathematical chemistry, 23(3-4), 1998, pp. 309-326
Authors:
COSSI M
MENNUCCI B
PITARCH J
TOMASI J
Citation: M. Cossi et al., CORRECTION OF CAVITY-INDUCED ERRORS IN POLARIZATION CHARGES OF CONTINUUM SOLVATION MODELS, Journal of computational chemistry, 19(8), 1998, pp. 833-846
Authors:
MENNUCCI B
CAMMI R
COSSI M
TOMASI J
Citation: B. Mennucci et al., SOLVENT AND VIBRATIONAL EFFECTS ON MOLECULAR ELECTRIC PROPERTIES - STATIC AND DYNAMIC POLARIZABILITY AND HYPERPOLARIZABILITIES OF UREA IN WATER, Journal of molecular structure. Theochem, 426, 1998, pp. 191-198
Authors:
MENNUCCI B
CAMMI R
TOMASI J
Citation: B. Mennucci et al., EXCITED-STATES AND SOLVATOCHROMIC SHIFTS WITHIN A NONEQUILIBRIUM SOLVATION APPROACH - A NEW FORMULATION OF THE INTEGRAL-EQUATION FORMALISM METHOD AT THE SELF-CONSISTENT-FIELD, CONFIGURATION-INTERACTION, AND MULTICONFIGURATION SELF-CONSISTENT-FIELD LEVEL, The Journal of chemical physics, 109(7), 1998, pp. 2798-2807
Authors:
CANCES E
MENNUCCI B
Citation: E. Cances et B. Mennucci, ANALYTICAL DERIVATIVES FOR GEOMETRY OPTIMIZATION IN SOLVATION CONTINUUM MODELS - I - THEORY, The Journal of chemical physics, 109(1), 1998, pp. 249-259
Authors:
CANCES E
MENNUCCI B
TOMASI J
Citation: E. Cances et al., ANALYTICAL DERIVATIVES FOR GEOMETRY OPTIMIZATION IN SOLVATION CONTINUUM MODELS - II - NUMERICAL APPLICATIONS, The Journal of chemical physics, 109(1), 1998, pp. 260-266
Authors:
MENNUCCI B
AMOVILLI C
TOMASI J
Citation: B. Mennucci et al., ON THE EFFECT OF PAULI REPULSION AND DISPERSION ON STATIC MOLECULAR POLARIZABILITIES AND HYPERPOLARIZABILITIES IN SOLUTION, Chemical physics letters, 286(3-4), 1998, pp. 221-225
Authors:
COSSI M
BARONE V
MENNUCCI B
TOMASI J
Citation: M. Cossi et al., AB-INITIO STUDY OF IONIC-SOLUTIONS BY A POLARIZABLE CONTINUUM DIELECTRIC MODEL, Chemical physics letters, 286(3-4), 1998, pp. 253-260
Authors:
CAMMI R
MENNUCCI B
TOMASI J
Citation: R. Cammi et al., SOLVENT EFFECTS ON LINEAR AND NONLINEAR-OPTICAL PROPERTIES OF DONOR-ACCEPTOR POLYENES - INVESTIGATION OF ELECTRONIC AND VIBRATIONAL COMPONENTS IN TERMS OF STRUCTURE AND CHARGE-DISTRIBUTION CHANGES, Journal of the American Chemical Society, 120(34), 1998, pp. 8834-8847
Authors:
AMOVILLI C
MENNUCCI B
Citation: C. Amovilli et B. Mennucci, SELF-CONSISTENT-FIELD CALCULATION OF PAULI REPULSION AND DISPERSION CONTRIBUTIONS TO THE SOLVATION FREE-ENERGY IN THE POLARIZABLE CONTINUUMMODEL, JOURNAL OF PHYSICAL CHEMISTRY B, 101(6), 1997, pp. 1051-1057
Authors:
MENNUCCI B
CANCES E
TOMASI J
Citation: B. Mennucci et al., EVALUATION OF SOLVENT EFFECTS IN ISOTROPIC AND ANISOTROPIC DIELECTRICS AND IN IONIC-SOLUTIONS WITH A UNIFIED INTEGRAL-EQUATION METHOD - THEORETICAL BASES, COMPUTATIONAL IMPLEMENTATION, AND NUMERICAL APPLICATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(49), 1997, pp. 10506-10517
Authors:
CAMMI R
COSSI M
MENNUCCI B
TOMASI J
Citation: R. Cammi et al., SOLVENT EFFECTS ON STATIC AND DYNAMIC POLARIZABILITY AND HYPERPOLARIZABILITIES OF ACETONITRILE, Journal of molecular structure, 437, 1997, pp. 567-575
Authors:
CANCES E
MENNUCCI B
TOMASI J
Citation: E. Cances et al., A NEW INTEGRAL-EQUATION FORMALISM FOR THE POLARIZABLE CONTINUUM MODEL- THEORETICAL BACKGROUND AND APPLICATIONS TO ISOTROPIC AND ANISOTROPIC DIELECTRICS, The Journal of chemical physics, 107(8), 1997, pp. 3032-3041
Authors:
MENNUCCI B
TOMASI J
Citation: B. Mennucci et J. Tomasi, CONTINUUM SOLVATION MODELS - A NEW APPROACH TO THE PROBLEM OF SOLUTESCHARGE-DISTRIBUTION AND CAVITY BOUNDARIES, The Journal of chemical physics, 106(12), 1997, pp. 5151-5158
Authors:
COSSI M
MENNUCCI B
CAMMI R
Citation: M. Cossi et al., ANALYTICAL FIRST DERIVATIVES OF MOLECULAR-SURFACES WITH RESPECT TO NUCLEAR COORDINATES, Journal of computational chemistry, 17(1), 1996, pp. 57-73
Authors:
MENNUCCI B
COSSI M
TOMASI J
Citation: B. Mennucci et al., CAVITATION AND ELECTROSTATIC FREE-ENERGY FOR MOLECULAR SOLUTES IN LIQUID-CRYSTALS, Journal of physical chemistry, 100(5), 1996, pp. 1807-1813
Authors:
CAMMI R
COSSI M
MENNUCCI B
TOMASI J
Citation: R. Cammi et al., ANALYTICAL HARTREE-FOCK CALCULATION OF THE DYNAMICAL POLARIZABILITY-ALPHA, POLARIZABILITY-BETA, AND POLARIZABILITY-GAMMA OF MOLECULES IN SOLUTION, The Journal of chemical physics, 105(23), 1996, pp. 10556-10564
Authors:
CAMMI R
COSSI M
MENNUCCI B
POMELLI CS
TOMASI J
Citation: R. Cammi et al., ENERGY AND ENERGY DERIVATIVES FOR MOLECULAR SOLUTES - PERSPECTIVES OFAPPLICATION TO HYBRID QUANTUM AND MOLECULAR METHODS, International journal of quantum chemistry, 60(6), 1996, pp. 1165-1178
Authors:
MENNUCCI B
COSSI M
TOMASI J
Citation: B. Mennucci et al., THEORETICAL-MODEL OF SOLVATION IN CONTINUUM ANISOTROPIC DIELECTRICS, The Journal of chemical physics, 102(17), 1995, pp. 6837-6845
Authors:
COSSI M
MENNUCCI B
TOMASI J
Citation: M. Cossi et al., SOLUTE-SOLVENT ELECTROSTATIC INTERACTIONS WITH NONHOMOGENEOUS RADIAL DIELECTRIC FUNCTIONS, Chemical physics letters, 228(1-3), 1994, pp. 165-170
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