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Inc, 2009
148716 * 2009 Gaussian 09, Revision D. 01/Gaussian MJ Frisch
Inc, 2009
120763 * 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
18702 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
10181 1998 Gaussian 09 Rev MJ Frisch
A, 2009
8507 * 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
8361 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
3937 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
3783 1998 Gaussian 03/Gaussian MJ Frisch
Inc, 2004
3659 2004 Gaussian 16/Gaussian MJ Frisch
Inc, 2016
2947 * 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
2760 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
2717 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
2238 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
1956 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
1835 1998 Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
1750 * 2016 Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone
The Journal of chemical physics 122 (1), 2005
1742 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
1414 2006 Gaussian 09. 2009, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
1212 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
1207 2009 
carlo adamoENSCP - Chimie ParistechEmail verificata su chimie-paristech.fr
