Sfoglia per Autore
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
1998-01-01 R., Cammi; Mennucci, Benedetta; Tomasi, Iacopo
New Applications of Integral Equation Methods for Solvation Continuum Models: Ionic Solutions and Liquid Crystals
1998-01-01 E., Cances; Mennucci, Benedetta
Solvent Effects upon the Polarizability and Second Hyperpolarizability of Polyacetylene Chains: an Ab Initio Time-dependent Hartree-Fock Evaluation within the Polarizable Continuum Model
1998-01-01 B., Champagne; Mennucci, Benedetta; M., Cossi; R., Cammi; J., Tomasi
Analytical Derivatives for Geometry Optimization in Solvation Continuum Models II: Numerical Applications
1998-01-01 E., Cances; Mennucci, Benedetta; Tomasi, Iacopo
Ab initio study of ionic solutions by a polarizable continuum dielectric model
1998-01-01 Cossi, M; Barone, V; Mennucci, Benedetta; Tomasi, Iacopo
The Correction of Cavity Induced Errors in the Polarization Charges of Continuum Solvation Models
1998-01-01 M., Cossi; Mennucci, Benedetta; J., Pitarch; J., Tomasi
MCSCF study of the S(N)2 Menshutkin reaction in aqueous solution within the polarizable continuum model
1998-01-01 Amovilli, Claudio; Mennucci, Benedetta; Floris, FRANCA MARIA
On the effect of Pauli repulsion and dispersion on static molecular polarizabilities and hyperpolarizabilities in solution
1998-01-01 Mennucci, Benedetta; Amovilli, Claudio; Tomasi, Iacopo
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
1999-01-01 Tomasi, Iacopo; Mennucci, Benedetta; E., Cances
Multireference perturbation configuration interaction methods for solvated systems described within the polarizable continuum model
1999-01-01 Mennucci, Benedetta; A., Toniolo; Cappelli, Chiara
Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model
1999-01-01 Mennucci, Benedetta; A., Toniolo; Cappelli, Chiara
MCSCF study of chemical reactions in Solution within the Polarizable Continuum Model and VB analysis of the reaction mechanism
1999-01-01 Amovilli, C.; Floris, F. M.; Mennucci, Benedetta
Linear Response theory for the Polarizable Continuum Model
1999-01-01 R., Cammi; Mennucci, Benedetta
Medium Effects on the Properties of Chemical Systems: an Overview of Recent Reformulations in the Polarizable Continuum Model (PCM)
1999-01-01 Tomasi, Iacopo; Cammi, R; Mennucci, Benedetta
Nuclear magnetic shieldings in solution: gauge invariant atomic orbital calculation using the polarizable continuum model
1999-01-01 Cammi, R.; Mennucci, Benedetta; Tomasi, Iacopo
Second order Moeller-Plesset analytical derivatives for the Polarizable Continuum Model using the relaxed density approach
1999-01-01 Cammi, R; Mennucci, Benedetta; Tomasi, Iacopo
Theoretical Modeling of the Symmetric (C2v) Electrophilic Attachment of Chlorine to Ethylene in Aqueous Solution
1999-01-01 Amovilli, Claudio; Floris, FRANCA MARIA; Mennucci, Benedetta
Medium Effects on the Properties of Chemical Systems: Electric and Magnetic Response of donor-acceptor systems within the Polarizable Continuum Model
1999-01-01 Mennucci, Benedetta; R., Cammi; Tomasi, Iacopo
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model
1999-01-01 Amovilli, Claudio; Barone, V.; Cammi, R.; Cances, E.; Cossi, M.; Mennucci, Benedetta; Pomelli, CHRISTIAN SILVIO; Tomasi, Iacopo
Recent advances in the description of solvent effects with the polarizable continuum model RID C-3671-2008 RID E-4986-2010
1999-01-01 Amovilli, Claudio; Barone, V; Cammi, R; Cances, E; Cossi, M; Mennucci, Benedetta; Pomelli, CHRISTIAN SILVIO; Tomasi, J.
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