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17408 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
9627 1998 Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model M Cossi, N Rega, G Scalmani, V Barone
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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
3698 1998 Gaussian Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
3327 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
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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
2586 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
1937 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
1788 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
1617 2016 Gaussian 03; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT 6492, 2004
1536 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
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DJ Gaussian 9, 2009
966 2009 
carlo adamoENSCP - Chimie ParistechE-mail confirmado em chimie-paristech.fr
