Gaussian 09, Revision D. 01/Gaussian MJ Frisch
Inc, 2009
146581 * 2009 Gaussian 09, Revision D. 01/Gaussian MJ Frisch
Inc, 2009
118890 * 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
18185 1999 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
9987 1998 Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.[Google Scholar], 2004
8295 * 2004 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
8214 2003 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
3895 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
3740 1998 Gaussian 03/Gaussian MJ Frisch
Inc, 2004
3659 2004 Gaussian 16/Gaussian MJ Frisch
Inc, 2016
2864 * 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
2740 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
2706 1997 Time-dependent density functional theory for molecules in liquid solutions M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
2218 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
1943 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
1824 1998 Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
1721 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
1393 2006 Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
1329 * 2016 Gaussian 09. 2009, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
1201 1990 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
1117 2009 
carlo adamoENSCP - Chimie ParistechAdresse e-mail validée de chimie-paristech.fr
