Stebėti
Benedetta Mennucci
Benedetta Mennucci
Department of Chemistry, University of Pisa
Patvirtintas el. paštas dcci.unipi.it - Pagrindinis puslapis
Pavadinimas
Cituota
Cituota
Metai
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
48932*1998
Gaussian 03, revision C. 02
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford, CT, 2004
30171*2004
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi
Chemical reviews 105 (8), 2999-3094, 2005
165322005
A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
E Cances, B Mennucci, J Tomasi
The Journal of chemical physics 107 (8), 3032-3041, 1997
69601997
Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries
B Mennucci, J Tomasi
The Journal of chemical physics 106 (12), 5151-5158, 1997
29331997
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
J Tomasi, B Mennucci, E Cancès
Journal of Molecular Structure: THEOCHEM 464 (1-3), 211-226, 1999
24531999
Evaluation of solvent effects in isotropic and anisotropic dielectrics and in ionic solutions with a unified integral equation method: theoretical bases, computational …
B Mennucci, E Cances, J Tomasi
The Journal of Physical Chemistry B 101 (49), 10506-10517, 1997
23091997
Definition of the hydrogen bond (IUPAC Recommendations 2011)
E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ...
Pure and applied chemistry 83 (8), 1637-1641, 2011
20042011
Ab initio study of ionic solutions by a polarizable continuum dielectric model
M Cossi, V Barone, B Mennucci, J Tomasi
Chemical Physics Letters 286 (3-4), 253-260, 1998
17671998
Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model
G Scalmani, MJ Frisch, B Mennucci, J Tomasi, R Cammi, V Barone
The Journal of chemical physics 124 (9), 2006
13492006
Defining the hydrogen bond: An account (IUPAC Technical Report)
E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ...
Pure and Applied Chemistry 83 (8), 1619-1636, 2011
11202011
Gaussian 09, Revision D. 01, Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
See also: URL: http://www. gaussian. com, 2009
10072009
Polarizable continuum model
B Mennucci
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 386-404, 2012
8672012
Gaussian 09, Revis. B. 01, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT, 1-20, 2009
790*2009
GAUSSIAN Development Version, Revision D. 02, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT, 2004
7342004
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7312009
Polarizable continuum model (PCM) calculations of solvent effects on optical rotations of chiral molecules
B Mennucci, J Tomasi, R Cammi, JR Cheeseman, MJ Frisch, FJ Devlin, ...
The Journal of Physical Chemistry A 106 (25), 6102-6113, 2002
7252002
Fast evaluation of geometries and properties of excited molecules in solution: a Tamm-Dancoff model with application to 4-dimethylaminobenzonitrile
R Cammi, B Mennucci, J Tomasi
The Journal of Physical Chemistry A 104 (23), 5631-5637, 2000
6942000
Formation and relaxation of excited states in solution: A new time dependent polarizable continuum model based on time dependent density functional theory
M Caricato, B Mennucci, J Tomasi, F Ingrosso, R Cammi, S Corni, ...
The Journal of chemical physics 124 (12), 2006
5592006
New applications of integral equations methods for solvation continuum models: ionic solutions and liquid crystals
E Cancès, B Mennucci
Journal of mathematical chemistry 23 (3-4), 309-326, 1998
5531998
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Straipsniai 1–20