gaussian 09, Revision d. 01, Gaussian M Frisch
Inc, Wallingford CT 201, 2009
128335 * 2009 gaussian 09, Revision d. 01, Gaussian M Frisch
Inc, Wallingford CT 201, 2009
104065 * 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
19077 1999 Gaussian Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
12803 * 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
10412 1998 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
8480 2003 Gaussian 98, revision A. 7; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Pittsburgh, Pa 40, 1998
6960 1998 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
3979 1996 Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The C Adamo, V Barone
The Journal of chemical physics 108 (2), 664-675, 1998
3810 1998 Gaussian 03/Gaussian MJ Frisch
Inc, 2004
3789 2004 Gaussian 09; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 32, 5648-5652, 2009
3086 2009 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
2796 2002 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
2723 1997 Gaussian 16, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford CT 2016, 2016
2519 * 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
2254 2001 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
1975 1998 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
1837 1998 Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
1750 2005 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
1437 2006 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
1053 2009 
carlo adamoENSCP - Chimie ParistechGeverifieerd e-mailadres voor chimie-paristech.fr
