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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 | 200 | 2008 |
Gaussian development version, revision h. 36 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc.: Wallingford, CT, 2010 | 174 | 2010 |
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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 | 141 | 2016 |
Gaussian 09, Revision B. 01 (Wallingford, CT) MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc, 2009 | 141* | 2009 |
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 | 129 | 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 | 121 | 2015 |
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