Vincenzo Barone
Vincenzo Barone
Professore di Chimica Teorica e Computazionale Scuola Normale Superiore
Verifierad e-postadress på sns.it - Startsida
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Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
115372*2004
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
97036*2004
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
745612004
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
122381999
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
75261998
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
63252003
Exploring chemistry
J Foresman, E Frish
Gaussian Inc., Pittsburg, USA, 1996
63101996
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
32381996
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
30931998
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
24281997
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
23982002
Time-dependent density functional theory for molecules in liquid solutions
M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
18672001
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
16881998
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
15751998
Gaussian 16, revision C. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford CT, 2016
1557*2016
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
The Journal of chemical physics 122 (1), 014108, 2005
13572005
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
10552006
Toward reliable adiabatic connection models free from adjustable parameters
C Adamo, V Barone
Chemical Physics Letters 274 (1-3), 242-250, 1997
7691997
Accurate excitation energies from time-dependent density functional theory: Assessing the PBE0 model
C Adamo, GE Scuseria, V Barone
The Journal of chemical physics 111 (7), 2889-2899, 1999
6721999
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
R Improta, V Barone, G Scalmani, MJ Frisch
The Journal of chemical physics 125 (5), 054103, 2006
6392006
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Artiklar 1–20