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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 | 1857 | 2003 |
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 | 1825 | 1998 |
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Gaussian 16 F Lipparini, F Egidi, J Goings, B Peng, A Petrone, T Henderson, ... Rev. C, 2016 | 755 | 2016 |
Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 670 | 2009 |
Recent advances in the description of solvent effects with the polarizable continuum model C Amovilli, V Barone, R Cammi, E Cancès, M Cossi, B Mennucci, ... Advances in Quantum Chemistry 32, 227-261, 1998 | 500 | 1998 |
Solvent effect on vertical electronic transitions by the polarizable continuum model M Cossi, V Barone The Journal of Chemical Physics 112 (5), 2427-2435, 2000 | 445 | 2000 |
Foresman, JV Ortiz, J. Cioslowski, and DJ Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09 revision C 1, 2009 | 403 | 2009 |
Polarizable dielectric model of solvation with inclusion of charge penetration effects M Cossi, N Rega, G Scalmani, V Barone The Journal of Chemical Physics 114 (13), 5691-5701, 2001 | 380 | 2001 |
Gaussian 98 MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision A 9, 1998 | 374 | 1998 |