Benedetta Mennucci
Benedetta Mennucci
Department of Chemistry, University of Pisa
Adresse e-mail validée de dcci.unipi.it - Page d'accueil
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gaussian 09, Revision d. 01, Gaussian
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 201, 2009
115446*2009
gaussian 09, Revision d. 01, Gaussian
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 201, 2009
94464*2009
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi
Chemical reviews 105 (8), 2999-3094, 2005
132902005
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
7739*2016
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
58831997
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
26041997
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
22191999
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
19341997
Gaussian 03; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 6492, 2004
17892004
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
16212009
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
15911998
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
14292011
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), 094107, 2006
10862006
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
9242011
Fox
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
DJ Gaussian 9, 2009
8182009
Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 03, Revision E 1, 2009
7972009
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
6072000
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
5732002
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
5462009
Polarizable continuum model
B Mennucci
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 386-404, 2012
5392012
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