Παρακολούθηση
Vincenzo Barone
Vincenzo Barone
Professore di Chimica Teorica e Computazionale Scuola Normale Superiore
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα sns.it - Αρχική σελίδα
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Παρατίθεται από
Παρατίθεται από
Έτος
gaussian 09, Revision d. 01, Gaussian
M Frisch
Inc, Wallingford CT 201, 2009
128295*2009
gaussian 09, Revision d. 01, Gaussian
M Frisch
Inc, Wallingford CT 201, 2009
104025*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
190691999
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
12793*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
104091998
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
84762003
Gaussian 98, revision A. 7; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Pittsburgh, Pa 40, 1998
69581998
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
39751996
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
38091998
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
30852009
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
27962002
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
27221997
Gaussian 16, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 2016, 2016
2415*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
22542001
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
19751998
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
18371998
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
17502005
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
14372006
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
10522009
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