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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
129181*2009
gaussian 09, Revision d. 01, Gaussian
M Frisch
Inc, Wallingford CT 201, 2009
104847*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
192321999
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
12910*2009
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
104801998
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
85182003
Gaussian 98, revision A. 7; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Pittsburgh, Pa 40, 1998
69961998
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
39911996
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
38251998
Gaussian 03/Gaussian
MJ Frisch
Inc, 2004
37892004
Gaussian 09; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 32, 5648-5652, 2009
30892009
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 2016, 2016
2885*2016
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
28062002
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
27311997
Time-dependent density functional theory for molecules in liquid solutions
M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
22632001
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
19811998
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
18451998
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
The Journal of chemical physics 122 (1), 2005
17592005
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
14422006
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
10562009
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