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Vincenzo Barone
Vincenzo Barone
Professore di Chimica Teorica e Computazionale Scuola Normale Superiore
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gaussian 09, Revision d. 01, Gaussian
M Frisch
Inc, Wallingford CT 201, 2009
143421*2009
gaussian 09, Revision d. 01, Gaussian
M Frisch
Inc, Wallingford CT 201, 2009
115761*2009
Toward reliable density functional methods without adjustable parameters: The PBE0 model
C Adamo, V Barone
The Journal of chemical physics 110 (13), 6158-6170, 1999
178951999
Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model
V Barone, M Cossi
The Journal of Physical Chemistry A 102 (11), 1995-2001, 1998
98451998
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
M Cossi, N Rega, G Scalmani, V Barone
Journal of computational chemistry 24 (6), 669-681, 2003
81342003
Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.[Google Scholar], 2004
5550*2004
Ab initio study of solvated molecules: a new implementation of the polarizable continuum model
M Cossi, V Barone, R Cammi, J Tomasi
Chemical Physics Letters 255 (4-6), 327-335, 1996
38681996
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The and models
C Adamo, V Barone
The Journal of chemical physics 108 (2), 664-675, 1998
37081998
gaussian 03, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT 371, 2004
36522004
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
M Cossi, G Scalmani, N Rega, V Barone
The Journal of Chemical Physics 117 (1), 43-54, 2002
27292002
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
V Barone, M Cossi, J Tomasi
The Journal of chemical physics 107 (8), 3210-3221, 1997
26851997
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
26712009
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, CT, USA, 2016
2345*2016
Time-dependent density functional theory for molecules in liquid solutions
M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
22062001
Gaussian 09, rev. D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, USA, 2009
22032009
Geometry optimization of molecular structures in solution by the polarizable continuum model
V Barone, M Cossi, J Tomasi
Journal of Computational Chemistry 19 (4), 404-417, 1998
19331998
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
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
16992005
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
13802006
Gaussian 09. 2009, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
11911990
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Artículos 1–20