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Benedetta Mennucci
Benedetta Mennucci
Department of Chemistry, University of Pisa
E-mail confirmado em dcci.unipi.it - Página inicial
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Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
50626*2016
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
35825*2016
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi
Chemical reviews 105 (8), 2999-3094, 2005
171552005
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
71391997
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
29941997
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
27071999
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
23611997
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, CT, USA, 2016
2250*2016
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
20902011
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
18101998
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
13792006
Gaussian 09. 2009, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
11901990
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
11452011
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 620, 2009
10982009
Polarizable continuum model
B Mennucci
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 386-404, 2012
9442012
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7642009
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
7512002
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
7122000
Gaussian 98, Rev. A. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA, 1998
6731998
01; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT, 2009
661*2009
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