Benedetta Mennucci
Atualmente é Professor da Universitá di Pisa. Tem experiência na área de Química, com ênfase em Físico-Química.
Informações coletadas do Lattes em 10/11/2022
Acadêmico
Áreas de atuação
Grande área: Ciências Exatas e da Terra / Área: Química / Subárea: Físico-Química/Especialidade: Química Teórica.
Participação em eventos
Fifth Congress of the International Society of Theoretical Chemistry (ISTCP). Fifth Congress of the International Society of Theoretical Chemistry (ISTCP). 2005. (Congresso).
World Congress of Theoretically Oriented Chemists (WATOC05). World Congress of Theoretically Oriented Chemists (WATOC05). 2005. (Congresso).
European Materials Research Society (EMRS) congress. European Materials Research Society (EMRS) congress. 2004. (Congresso).
Italia-Norwegian-Swedish workshop on quantum molecular sciences. Italia-Norwegian-Swedish workshop on quantum molecular sciences. 2004. (Congresso).
International Congress in Quantum Chemistry (ICQC). International Congress in Quantum Chemistry. 2003. (Congresso).
World Congress of Theoretically Oriented Chemists (WATOC02). World Congress of Theoretically Oriented Chemists (WATOC02). 2002. (Congresso).
Produções bibliográficas
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PAVANELLO, Michele ; MENNUCCI, B. ; FERRARINI, Alberta . Quantum-mechanical studies of NMR properties of solutes in Liquid Crystals: a new strategy to determine orientational order parameters. Journal of Chemical Physics , v. 122, p. 06490, 2005.
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CAMMI, Roberto ; CORNI, Stefano ; MENNUCCI, B. ; TOMASI, Jacopo . Electronic excitation energies of molecules in solution: State specific and linear response methods for non-equilibrium continuum solvation models. Journal of Chemical Physics , v. 122, p. 10451, 2005.
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INGROSSO, Francesca ; LADANYI, Branka M ; MENNUCCI, B. ; ELOLA, M D ; TOMASI, Jacopo . Solvation Dynamics in Acetonitrile: A Study Incorporating Solute Electronic Response and Nuclear Relaxation. Journal of Physical Chemistry B , v. 109, p. 3553, 2005.
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CAPPELLI, Chaira ; MENNUCCI, B. ; MONTI, Susanna . Environmental effects on the spectroscopic properties of gallic acid: a combined classical and quantum mechanical study. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 109, p. 1933, 2005.
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CAPPELLI, Chiara ; CORNI, Stefano ; MENNUCCI, B. ; TOMASI, Jacopo ; CAMMI, R . Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model. International Journal of Quantum Chemistry , v. 104, p. 716, 2005.
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CARICATO, Marco ; INGROSSO, F ; MENNUCCI, B. ; TOMASI, J . A time-dependent Polarizable Continuum Model: theory and application. Journal of Chemical Physics , v. 122, p. 15450, 2005.
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MENNUCCI, B. ; MARTINEZ, J M . How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. I. Geometries, Infrared and Ultraviolet spectra in water. Journal of Physical Chemistry B , v. 109, p. 9818, 2005.
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MENNUCCI, B. ; MARTINEZ, J M . How to model solvation of peptides? Insights from a quantum mechanical and molecular dynamics study of N-methylacetamide. II. 15N and 17O nuclear shielding in water and in acetone. Journal of Physical Chemistry B , v. 109, p. 9830, 2005.
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MENNUCCI, B. ; HOMEM-DE-MELLO, P ; TOMASI, J ; SILVA, A. B. F. da . The effects of solvation in the theoretical spectra of cationic dyes. Theoretical Chemistry Accounts , v. 113, p. 274, 2005.
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TOMASI, J ; MENNUCCI, B. ; CAMMI, R . Quantum Mechanical Continuum Solvation Models. Chemical Reviews , v. 105, p. 2999, 2005.
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MENNUCCI, B. ; CAPPELI, C ; RIZZO, A ; CAMMI, R . A Quantum Mechanical Polarizable Continuum Model Approach to the Kerr effect in pure liquids. Journal of Physical Chemistry B , v. 109, p. 18706, 2005.
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CORNI, S ; CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Electronic excitation energies of molecules in solution within continuum solvation models: Investigating the discrepancy between state specific and linear response method. Journal of Chemical Physics , v. 123, p. 13451, 2005.
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MENNUCCI, B. ; CURUTCHET, C e . Towards a molecular scale interpretation of Excitation Energy Transfer in solvated bichromophoric systems. Journal of the American Chemical Society , v. 122, p. 16733, 2005.
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IOZZI, Maria Francesca ; MENNUCCI, B. ; TOMASI, Jacopo ; CAMMI, Roberto . Excitation Energy Transfer (EET) between molecules in condensed matter: a novel application of the Polarizable Continuum Model (PCM). Journal of Chemical Physics , v. 120, p. 7029, 2004.
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CAMMI, Roberto ; MENNUCCI, B. ; POMELLI, C ; CAPPELLI, C ; CORNI, S ; FREDIANI, L ; TRUCKS, G W ; FRISCH, M J . MP2 second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene. Theoretical Chemistry Accounts , v. 111, p. 66, 2004.
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MO, S J ; VREVEN, T ; MENNUCCI, B. ; MOROKUMA, K ; TOMASI, J . Theoretical study of the SN2 reaction of Cl-(H2O) + CH3Cl using the ONIOM-PCM method. Theoretical Chemistry Accounts , v. 111, p. 154, 2004.
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KLEIN, R ; MENNUCCI, B. ; TOMASI, J . Ab Initio Calculation of 17O-NMR Chemical Shifts for Water. The Limits of PCM Theory and the Role of Hydrogen Bond Geometry and Cooperativity. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 108, p. 5851, 2004.
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NANU, D e ; MENNUCCI, B. ; LOOS, T W . Predicting infinite dilution activity coefficients with the group contribution solvation model: an extension of its applicability to aqueous systems. Fluid Phase Equilibria , v. 221, p. 127, 2004.
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CARICATO, M ; MENNUCCI, B. ; TOMASI, J . Solvent effects on Electronic Spectra: an extension of the Polarizable Continuum Model to the ZINDO method. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 108, p. 6248, 2004.
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FREDIANI, L ; MENNUCCI, B. ; CAMMI, R . A quantum-mechanical continuum solvation study of the polarizability of halides at the water/air interface. Journal of Physical Chemistry B , v. 108, p. 13796, 2004.
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ANDREUSSI, O ; CORNI, S ; MENNUCCI, B. ; TOMASI, J . Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape. Journal of Chemical Physics , v. 121, p. 10190, 2004.
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SILVA, C O da ; MENNUCCI, B. ; VREVEN, T . Density Functional Study of the Optical Rotation of Glucose in Aqueous Solution. Journal of Organic Chemistry , v. 69, p. 8161, 2004.
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PAVANELLO, Michele ; MENNUCCI, B. ; FERRARINI, A . Quantum-mechanical studies of NMR properties of solutes in Liquid Crystals: a new strategy to determine orientational order parameters. Journal of Chemical Physics , v. 122, p. 06490, 2004.
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RUDD, K. ; FREDIANI, L ; CAMMI, R ; MENNUCCI, B. . Solvent Effects on the Indirect Spin.Spin Coupling Constants of Benzene: The DFT-PCM Approach(IN PRESS). International Journal Of Molecular Science, 2003.
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INGROSSO, F ; MENNUCCI, B. ; TOMASI, J . Quantum mechanical calculations coupled with a dynamical continuum model for the description of dielectric relaxation; Time dependent Stokes shift of coumarin C153 in polar solvents (IN PRESS). Journal of Molecular Liquids , v. 108, p. 21, 2003.
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MENNUCCI, B. ; CAMMI, R . An ab-initio model to predict NMR shielding tensors for solutes in liquid crystals (IN PRESS). International Journal of Quantum Chemistry , 2003.
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MARTINEZ, J M ; PAPPALARDO, R. R. ; MARCOS, E. S. ; MENNUCCI, B. ; TOMASI, J . Analysis of the opposite solvent effects caused by different solute cavities on the metal-water distance of monoatomic cation hydrates. Journal of Physical Chemistry B , v. 106, p. 1118-1123, 2002.
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MENNUCCI, B. . An Ab Initio Analysis on n-p*Absorption Spectra and N Nuclear Shieldings of Diazines in Solution. Journal of the American Chemical Society , v. 124, p. 1506-1515, 2002.
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BANDYOPADHYAY, P. ; GORDON, M. S. ; MENNUCCI, B. ; TOMASI, J . An integrated effective fragment-polarizable continuum approach to solvation: Theory and application to glycine. Journal of Chemical Physics , v. 116, p. 5026-5032, 2002.
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MENNUCCI, B. ; TOMASI, J ; CAMMI, R ; CHEESEMAN, J. R. ; FRISCH, M J ; DEVLIN, F. J. ; GABRIEL, S. ; STEPHENS, P. J. . Polarizable Continuum Model (PCM) calculations of solvent effects on optical rotations of chiral molecules. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 36, p. 6102-6113, 2002.
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CAMMI, R ; MENNUCCI, B. ; RUDD, K. ; FREDIANI, L ; MIKKELSEN, K. V. ; TOMASI, J . A Second-Order, Quadratically Convergent Multiconfigurational Self-Consistent Field Polarizable Continuum Model for Equilibrium and Non-Equilibrium Solvation. Journal of Chemical Physics , v. 117, p. 13-26, 2002.
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CAPPELI, C ; CORNI, S ; MENNUCCI, B. ; CAMMI, R . Vibrational Circular Dichroism within the polarizable continuum model: a theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 106, p. 12331-12339, 2002.
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CAPPELLI, C ; TOMASI, J ; MENNUCCI, B. ; CAMMI, R ; CORNI, S . Molecular properties in solution described with a continuum solvation model. PCCP. Physical Chemistry Chemical Physics , v. 4, p. 5697-5712, 2002.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency(IN PRESS). Theoretical Chemistry Accounts, 2002.
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CANCES, E. ; MENNUCCI, B. . Comment on Reaction field treatment of charge penetration. Journal of Chemical Physics , v. 114, p. 4744-4745, 2001.
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MENNUCCI, B. ; TONIOLO, A. ; TOMASI, J . Theoretical study of the photophysics of adenine in solution: tautomerism, deactivation mechanisms, and comparison with the 2-aminopurine fluorescent isomer. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 105, p. 4749-4757, 2001.
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VREVEN, T ; MENNUCCI, B. ; SILVA, C O da ; MOROKUMA, K ; TOMASI, J . Combining solvation continuum models with hybrid methods: Application to the solvation and properties of merocyanines. Journal of Chemical Physics , v. 115, p. 62-72, 2001.
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MENNUCCI, B. ; TONIOLO, A. ; TOMASI, J . A Theoretical Study of Guanine from Gas Phase to Aqueous Solution: Role of Tautomerism and its Implications in Absorption and Emission Spectra. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 105, p. 7126-7134, 2001.
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MENNUCCI, B. ; MARTINEZ, J M ; TOMASI, J . Solvent effects on nuclear shieldings: continuum or discrete solvation models to treat hydrogen bond and polarity effects?. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 105, p. 7287-7296, 2001.
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CANCES, E. ; MENNUCCI, B. . The escaped charge problem in solvation continuum models. Journal of Chemical Physics , v. 115, p. 6130-6135, 2001.
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CAPPELLI, C ; MENNUCCI, B. ; TOMASI, J ; CAMMI, R ; RIZZO, A . The Cotton-Mouton effect of gaseous N2, CO, CO2, OCS and CS2: a Density Functional approach to high-order mixed electric and magnetic properties. Chemical Physics Letters , v. 345, p. 251-258, 2001.
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CAPPELLI, C ; MENNUCCI, B. ; SILVA, C O da ; TOMASI, J . Refinements on Solvation Continuum Models: Hydrogen-Bond Effects on the OH-Stretch in Liquid Water and Methanol. Journal of Chemical Physics , v. 112, p. 5382-5392, 2000.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . An attempt to bridge the gap between computation and experiment for nonlinear optical properties: macroscopic susceptibilities in solution. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 104, p. 4690-4698, 2000.
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GONTRANI, L. ; MENNUCCI, B. ; TOMASI, J . Glycine and Alanine: a theoretical study of solvent effects upon energetics and molecular response properties. Journal of Molecular Structure. Theochem , v. 500, p. 113-127, 2000.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Fast evaluation of geometries and properties of excited molecules in solution: a Tamm Dancoff Model with application to 4-dimethylbenzonitrile. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 104, p. 5631-5637, 2000.
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STEPHENS, P. J. ; DEVLIN, F. J. ; CHEESEMAN, J. R. ; FRISCH, M J ; MENNUCCI, B. ; TOMASI, J . Prediction of Optical Rotation using density functional theory: 6,8-Dioxabicyclo[3.2.1]octanes. Tetrahedron. Asymmetry , v. 11, p. 2443-2448, 2000.
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MENNUCCI, B. ; TONIOLO, A. ; TOMASI, J . Ab initio study of the electronic excited states in 4-(N,N-dimethylamino)benzonitrile with inclusion of solvent effects: the internal charge transfer process. Journal of the American Chemical Society , v. 122, p. 10621-10630, 2000.
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CAPPELI, C ; CORNI, S ; CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Non-equilibrium formulation of infrared frequencies and intensities in solution: analytical evaluation within the Polarizable Continuum Model. Journal of Chemical Physics , v. 113, p. 11270-11279, 2000.
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CANCES, E. ; MENNUCCI, B. . Reaction field treatment of charge penetration. Journal of Chemical Physics , v. 112, p. 5558, 2000.
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MENNUCCI, B. ; CAMMI, R ; TOMASI, J . Analytical Free Energy Second Derivatives with respect to Nuclear Coordinates: a Complete Formulation for Electrostatic Continuum Solvation Models. Journal of Chemical Physics , v. 110, p. 6858-6870, 1999.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Nuclear Magnetic Shieldings in Solution: Gauge Invariant Atomic Orbital Calculation using the Polarizable Continuum Model. Journal of Chemical Physics , v. 110, p. 7627-7638, 1999.
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CAMMI, R ; MENNUCCI, B. . The linear Response theory for the Polarizable Continuum Model. Journal of Chemical Physics , v. 110, p. 9877-9886, 1999.
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TOMASI, J ; MENNUCCI, B. ; CANCES, E. . The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level. Journal of Molecular Structure. Theochem , v. 464, p. 211-226, 1999.
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AMOVILLI, C. ; FLORIS, F. M. ; MENNUCCI, B. . Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution. International Journal of Quantum Chemistry , v. 74, p. 59-67, 1999.
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CANCES, E. ; BRIS, C. L. ; MENNUCCI, B. ; TOMASI, J . Integral Equation Methods for Molecular Calculations in the Liquid Phase. Mathematical Models Methods Applied To Science, v. 9, p. 35-44, 1999.
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MENNUCCI, B. ; TONIOLO, A. ; CAPPELLI, C . Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model. Journal of Chemical Physics , v. 110, p. 7197-7208, 1999.
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MENNUCCI, B. ; CAMMI, R ; TOMASI, J . Medium Effects on the Properties of Chemical Systems: Electric and Magnetic Response of donor-acceptor systems within the Polarizable Continuum Model. International Journal of Quantum Chemistry , v. 75, p. 767-781, 1999.
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TOMASI, J ; CAMMI, R ; MENNUCCI, B. . Medium Effects on the Properties of Chemical Systems: an Overview of Recent Reformulations in the Polarizable Continuum Model (PCM). International Journal of Quantum Chemistry , v. 75, p. 783-703, 1999.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Second-order Moller-Plesset analytical derivatives for the Polarizable Continuum Model using the relaxed density approach. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 103, p. 9100-9108, 1999.
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MENNUCCI, B. ; CAMMI, R ; TOMASI, J . On the Calculation of Local Field Factors for Microscopic Hyperpolarizabilities of Molecules in Solution with the Aid of Quantum-Mechanical Methods. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, & General Theory , v. 102, p. 870-875, 1998.
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MENNUCCI, B. ; AMOVILLI, C. ; TOMASI, J . On the Effect of Pauli Repulsion and Dispersion on Static Molecular Polarizabilities and Hyperpolarizabilities in Solution. Chemical Physics Letters , v. 286, p. 221-225, 1998.
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MENNUCCI, B. ; CAMMI, R ; COSSI, M. ; TOMASI, J . Solvent and Vibrational Effects on Molecular Electric Properties. Static and Dynamic Polarizability and Hyperpolarizabilities of Urea in Water. Journal of Molecular Structure. Theochem , v. 426, p. 191-198, 1998.
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COSSI, M. ; BARONE, V. ; MENNUCCI, B. ; TOMASI, J . Ab initio study of ionic solutions by a polarizable continuum dielectric model. Chemical Physics Letters , v. 286, p. 253-260, 1998.
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AMOVILLI, C. ; MENNUCCI, B. ; FLORIS, F. M. . A MCSCF study of the SN2 Menshutkin reaction in Aqueous Solution within the Polarizable Continuum Model. Journal of Physical Chemistry B , v. 102, p. 3023-3028, 1998.
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CANCES, E. ; MENNUCCI, B. . Analytical Derivatives for Geometry Optimization in Solvation Continuum Models I: Theory. Journal of Chemical Physics , v. 109, p. 249-259, 1998.
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CANCES, E. ; MENNUCCI, B. ; TOMASI, J . Analytical Derivatives for Geometry Optimization in Solvation Continuum Models II: Numerical Applications. Journal of Chemical Physics , v. 109, p. 260-267, 1998.
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MENNUCCI, B. ; CAMMI, R ; TOMASI, J . Excited States and Solvatochromic Shifts within a Nonequilibrium Solvation Approach: a New Formulation of the Integral Equation Method (IEF) at the SCF, CI and MCSCF level. Journal of Chemical Physics , v. 109, p. 2798-2807, 1998.
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CANCES, E. ; MENNUCCI, B. . New Applications of Integral Equation Methods for Solvation Continuum Models: Ionic Solutions and Liquid Crystals. Journal of Mathematical Chemistry , v. 23, p. 309-326, 1998.
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COSSI, M. ; MENNUCCI, B. ; PITARCH, J. ; TOMASI, J . The Correction of Cavity-Induced Errors in the Polarization Charges of Continuum Solvation Models. Journal of Computational Chemistry , v. 19, p. 833-846, 1998.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . 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 , v. 34, p. 8834-8847, 1998.
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AMOVILLI, C. ; BARONE, V. ; CAMMI, R ; CANCES, E. ; COSSI, M. ; MENNUCCI, B. ; POMELLI, C ; TOMASI, J . Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model. Advances in Quantum Chemistry , v. 32, p. 227-261, 1998.
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CHAMPAGNE, B. ; MENNUCCI, B. ; COSSI, M. ; CAMMI, R ; TOMASI, J . Solvent Effects upon the Polarizability and Second Hyperpolarizability of Polyacetylene Chains: an Ab Initio Time-dependent Hartree-Fock Evaluation within the Polarizable Continuum Model. Chemical Physics , v. 238, p. 153-163, 1998.
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MENNUCCI, B. ; AMOVILLI, C. . Self Consistent Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model. Journal of Physical Chemistry B , v. 101, p. 1051-1057, 1997.
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MENNUCCI, B. ; TOMASI, J . Continuum Solvation Models. A New Approach to the Problem of Solute's Distribution and Cavity Boundaries. Journal of Chemical Physics , v. 106, p. 5115-5128, 1997.
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MENNUCCI, B. ; CANCES, E. ; TOMASI, J . A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics. Journal of Chemical Physics , v. 107, p. 3032-3041, 1997.
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MENNUCCI, B. ; CAMMI, R ; COSSI, M. ; TOMASI, J . Solvent Effects on Static and Dynamic Polarizability and Hyperpolarizabilities of Acetonitrile. Journal of Molecular Structure , v. 436, p. 567-575, 1997.
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MENNUCCI, B. ; CANCES, E. ; TOMASI, J . 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 , v. 101, p. 10506-10517, 1997.
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MENNUCCI, B. ; COSSI, M. ; CAMMI, R . Analytical First Derivatives of Molecular Surfaces with respect to Nuclear Coordinates. Journal of Computational Chemistry , v. 17, p. 57-73, 1996.
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MENNUCCI, B. ; COSSI, M. ; TOMASI, J . Cavitation and Electrostatic Free Energy for Molecular Solutes in Liquid Crystals. Journal of Physical Chemistry , v. 100, p. 1807-1813, 1996.
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MENNUCCI, B. ; CAMMI, R ; COSSI, M. ; TOMASI, J . Analytical Hartree-Fock Calculation of Dynamical Polarizabilities a, and ? of Molecules in Solutions. Journal of Chemical Physics , v. 105, p. 10556-10564, 1996.
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MENNUCCI, B. ; CAMMI, R ; COSSI, M. ; POMELLI, C ; TOMASI, J . Energy and Energy Derivatives for Molecular Solutes. Perspectives of Application to Hybrid Quantum and Molecular Mechanics Methods. International Journal of Quantum Chemistry , v. 60, p. 1165-1178, 1996.
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MENNUCCI, B. ; COSSI, M. ; TOMASI, J . A Theoretical Model of Solvation in Continuum Anisotropic Dielectrics. Journal of Chemical Physics , v. 102, p. 6837-6845, 1995.
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COSSI, M. ; MENNUCCI, B. ; TOMASI, J . Solute-Solvent Electrostatic Interactions with Non-Homogeneous Radial Dielectric Functions. Chemical Physics Letters , v. 228, p. 165-170, 1994.
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TOMASI, J ; MENNUCCI, B. ; CAMMI, R . Molecules in solution. In: R. McWeeny; S. Wilson. (Org.). 'Handbook of Molecular Physics and Quantum Chemistry'. Chichester: J. Wiley, 2003, v. 3, p. 299-328.
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TOMASI, J ; MENNUCCI, B. ; LAUG, P. . The modeling and simulation of the liquid phase, in Computational chemistry(IN PRESS). In: C. Lebris. (Org.). 'Handbook of numerical analysis. : Elsevier, 2003, v. , p. -.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . On the calculation of nonlinear optical macroscopic susceptibilities in solution within the polarizable continuum model (IN PRESS). In: M. Papadopoulos. (Org.). 'On the non-linear optical response of molecules, solids and liquids: Methods and applications. : , 2003, v. , p. -.
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CAMMI, R ; MENNUCCI, B. ; TOMASI, J . Computational modelling of the solvent effects on molecular properties: an overview of the Polarizable Continuum Model (PCM) approach (In PRESS). In: F. Leszczynski. (Org.). 'Reviews in Computational Chemistry'. : , 2003, v. , p. -.
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MENNUCCI, B. . Quantum Mechanical Models for Systems in solution. In: M. Defranceschi; C. Lebris. (Org.). Mathemathical Models and Methods for Ab Initio Quantum Chemistry- Lecture Notes in Chemistry'. : Springer, 2000, v. 74, p. 171-202.
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TOMASI, J ; MENNUCCI, B. ; CAPPELLI, C . Interactions in Solvents and Solutions. In: G. Wypych. (Org.). 'Handbook of Solvents. : ChemTec Publishing, 2000, v. , p. 419-504.
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AMOVILLI, C. ; FLORIS, F. M. ; MENNUCCI, B. . MCSCF study of chemical reactions in Solution within the Polarizable Continuum Model and VB analysis of the reaction mechanism, in `Quantum Systems in Chemistry and Physics. In: A. Hernandez-Laguna; J. Maruany; R. McWeeny; S. Wilson. (Org.). Progress in Theoretical Chemistry and Physics. : , 1999, v. 2, p. 213-231.
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TOMASI, J ; MENNUCCI, B. . SCRF: Continuum Quantum-Mechanical Solvation Methods. In: F. Leszczynski. (Org.). Encyclopedia of Computational Chemistry. : John Wiley & Sons, 1998, v. 4, p. 2547-2559.
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TOMASI, J ; MENNUCCI, B. ; CAMMI, R ; COSSI, M. . Quantum mechanical models for reactions in solution in Computational Approaches to Biochemical Reactivity. In: G Naray-Szabo; A Warshel. (Org.). Quantum mechanical models for reactions in solution in Computational Approaches to Biochemical Reactivity. Dordrecht: Kluwer Academic Publishers, 1997, v. 19, p. 1-102.
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TOMASI, J ; MENNUCCI, B. ; CAMMI, R . MEP: a Tool for Interpretation and Prediction. From Molecular Structure to Solvation Effects in Theoretical and Computational Chemistry. In: J S Murray; K Sen. (Org.). MEP. Amsterdan: Elsevier Science, 1996, v. 3, p. 1-103.
Histórico profissional
Endereço profissional
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Universitá di Pisa. , Lungarno Pacinotti 43, 56126 - Pisa, - Itália
Experiência profissional
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