Vincenzo Barone
Vincenzo Barone
Professore di Chimica Teorica e Computazionale Scuola Normale Superiore
Vahvistettu sähköpostiosoite verkkotunnuksessa sns.it - Kotisivu
Nimike
Viittaukset
Viittaukset
Vuosi
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
127615*2004
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
82630*2004
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
161731998
Gaussian 09, Revision, A. 1
M Frisch, G Trucks, H Schlegel, G Scuseria, M Robb, J Cheeseman, ...
14558*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
106921999
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
68711998
Gaussian 09; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 32, 5648-5652, 2009
6378*2009
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
57172003
Exploring chemistry
J Foresman, E Frish
Gaussian Inc., Pittsburg, USA, 1996
55421996
Gaussian 98: revision A. 7
M Frisch, G Trucks, KH Schlegel, G Scuseria, MA Robb, J Cheeseman, ...
39871998
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
3712*2016
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
30251996
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
29091998
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
23081997
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
22872002
Time-dependent density functional theory for molecules in liquid solutions
M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
17432001
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
15981998
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
15071998
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
The Journal of chemical physics 122 (1), 014108, 2005
12762005
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
9482006
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Artikkelit 1–20