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| 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 | 529 | 2009 |
| Foresman, JV Ortiz, J. Cioslowski, and DJ Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09 revision C 1, 2009 | 421 | 2009 |
| Gaussian revision E. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc, 2009 | 419 | 2009 |
| Farkas, JB Foresman, JV Ortiz, J. Cioslowski and DJ Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 09 Revision A 1, 2009 | 325 | 2009 |
| MJT Gaussian 09 Rev. C01 GW Frisch, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Gaussian, Inc., Wallingford CT, 2009 | 324 | 2009 |
| Gaussian–16 Revision C. 01, 2019 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc., Wallingford CT Search PubMed, 0 | 258 | |
| Accurate solid-state band gaps via screened hybrid electronic structure calculations EN Brothers, AF Izmaylov, JO Normand, V Barone, GE Scuseria The Journal of chemical physics 129 (1), 2008 | 194 | 2008 |
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| Gaussian 16, Revision A. 03, Gaussian, Inc., Wallingford CT MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian16 (Revision A. 03), 2016 | 163* | 2016 |
| Gaussian 09, Revision D. 01; Gaussian, Inc: Wallingford, CT, 2013 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Google Scholar There is no corresponding record for this reference, 2015 | 162 | 2015 |
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| ZIF-67 framework: a promising new candidate for propylene/propane separation. experimental data and molecular simulations P Krokidas, M Castier, S Moncho, DN Sredojevic, EN Brothers, HT Kwon, ... The Journal of Physical Chemistry C 120 (15), 8116-8124, 2016 | 133 | 2016 |
| Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-β-lactamase CcrA from Bacteroides fragilis H Park, EN Brothers, KM Merz Journal of the American Chemical Society 127 (12), 4232-4241, 2005 | 127 | 2005 |
| Molecular simulation studies of the diffusion of methane, ethane, propane, and propylene in ZIF-8 P Krokidas, M Castier, S Moncho, E Brothers, IG Economou The Journal of Physical Chemistry C 119 (48), 27028-27037, 2015 | 116 | 2015 |
| Gaussian, Inc., Wallingford CT, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Full reference in Supp. Info, 2009 | 111 | 2009 |
| Gaussian, Inc., Wallingford CT, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian09, Revision D 1, 2016 | 107 | 2016 |
| Gaussian 09, Revision D. 01; Gaussian: Wallingford, CT, USA, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Google Scholar There is no corresponding record for this reference, 2009 | 90 | 2009 |
Artur IzmaylovUniversity of TorontoVerified email at utoronto.ca
