Gaussian 09, Revision D. 01/Gaussian MJ Frisch
Inc, 2009
150112 * 2009 Gaussian 09, Revision D. 01/Gaussian MJ Frisch
Inc, 2009
121792 * 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
19012 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
10314 1998 Gaussian 09 Rev MJ Frisch
A, 2009
8847 * 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
8446 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
3971 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
3805 1998 Gaussian 03/Gaussian MJ Frisch
Inc, 2004
3661 2004 Gaussian 16/Gaussian MJ Frisch
Inc, 2016
3230 * 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
2772 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
2727 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
2250 2001 Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
2013 * 2016 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
1961 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
1841 1998 Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
1764 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
1429 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
1267 * 2009 Gaussian 09. 2009, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
1222 1990 
carlo adamoENSCP - Chimie ParistechZweryfikowany adres z chimie-paristech.fr
