Benedetta Mennucci
Benedetta Mennucci
Department of Chemistry, University of Pisa
Adresse e-mail validée de dcci.unipi.it - Page d'accueil
TitreCitée parAnnée
Gaussian09
MJ Frisch
http://www. gaussian. com/, 2009
130065*2009
Gaussian 09, Revision D. 01, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, CT, 2009
131882009
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi
Chemical reviews 105 (8), 2999-3094, 2005
104902005
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
50271997
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
23601997
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Revision A 3, 2016
2247*2016
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 Cances
Journal of Molecular Structure: THEOCHEM 464 (1-3), 211-226, 1999
18791999
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
16541997
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
14551998
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
10662011
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
8842006
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
7272011
Fox
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
DJ, Keith, T., Al-Laham, MA, Peng, CY, Nanayakkara, A., Gonzalez, C …, 1998
6611998
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
5632000
Gaussian 09, revision C. 1; 2010
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, 0
512*
Gaussian 09, Revision A. 02; Gaussian, Inc: Wallingford, CT, 2009
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
There is no corresponding record for this reference.[Google Scholar], 2015
5102015
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
4732002
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
4672009
Laham, CY Peng, A
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Nanayakkara, M. Challacombe, PMW Gill, B. Johnson, W. Chen, MW Wong, C …, 1998
4561998
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
4551998
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