gaussian 09, Revision d. 01, Gaussian M Frisch
Inc, Wallingford CT 201, 2009
146519 * 2009 Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
44549 * 2016 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
17418 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
9633 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
7981 2003 Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.[Google Scholar], 2004
5122 * 2004 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
3817 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
3701 1998 Gaussian Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
3328 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
2708 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
2652 1997 Gaussian 09, rev MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
2585 2009 Time-dependent density functional theory for molecules in liquid solutions M Cossi, V Barone
The Journal of chemical physics 115 (10), 4708-4717, 2001
2188 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
1936 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
1789 1998 Anharmonic vibrational properties by a fully automated second-order perturbative approach V Barone
Journal of Chemical Physics 122 (1), 14108-14108, 2005
1679 2005 Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
1590 2016 Gaussian 03; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 6492, 2004
1537 2004 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
1366 2006 Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
DJ Gaussian 9, 2009
966 2009 
carlo adamoENSCP - Chimie ParistechVerifisert e-postadresse på chimie-paristech.fr
