Gaussian 09, Revision D. 01/Gaussian MJ Frisch Inc, 2009 | 184410* | 2009 |
Gaussian 03 rev. E. 01 MJ Frisch http://www. gaussian. com/, 2004 | 58471* | 2004 |
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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 |
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 |
Gaussian 03/Gaussian MJ Frisch Inc, 2004 | 3659 | 2004 |
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 | 2771 | 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 |
Gaussian09 Revision D. 01, Gaussian Inc., Wallingford CT, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2015 | 2195* | 2015 |
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 |
MOLCAS: a program package for computational chemistry G Karlström, R Lindh, PÅ Malmqvist, BO Roos, U Ryde, V Veryazov, ... Computational Materials Science 28 (2), 222-239, 2003 | 1909 | 2003 |
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 |
Gaussian 16 F Lipparini, F Egidi, J Goings, B Peng, A Petrone, T Henderson, ... Rev. C, 2016 | 1217 | 2016 |
Uranyl extraction by N, N-dialkylamide ligands studied by static and dynamic DFT simulations MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09, 2009 | 1122 | 2009 |
Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 781 | 2009 |
Gaussian 98, Rev. A. 7, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA, 1998 | 771* | 1998 |
Gaussian 03, Revision C. 02. Gaussian KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, ... Inc, 2004 | 650 | 2004 |
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