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The Journal of Chemical Physics|June 16, 2006
An efficient self-consistent field method for large systems of weakly interacting componentsRustam Z Khaliullin, Martin Head-Gordon, Alexis T BellThe Journal of Physical Chemistry. B|July 21, 2006
A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2Rustam Z Khaliullin, Alexis T Bell, Martin Head-GordonEksperimental'Naia I Klinicheskaia Farmakologiia|October 27, 2004
[6,8-Dimethyl-2-piperidinomethyl-2,3-dihydrothiazolo[2,3-f]xanthine: a new inductor of the monooxygenase system inhibits experimental intrahepatic cholestasis in rats]I L Nikitina, E K Alekhin, F A KhaliullinInorganic Chemistry|April 22, 2008
Interaction of molecular hydrogen with open transition metal centers for enhanced binding in metal-organic frameworks: a computational studyRohini C Lochan, Rustam Z Khaliullin, Martin Head-GordonPhysical Review Letters|May 21, 2019
Nontrivial Triplon Topology and Triplon Liquid in Kitaev-Heisenberg-type Excitonic MagnetsPavel S Anisimov, Friedemann Aust, Giniyat Khaliullin, et al.The Journal of Chemical Physics|June 6, 2008
Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitalsRustam Z Khaliullin, Alexis T Bell, Martin Head-GordonThe Journal of Physical Chemistry. B|August 29, 2007
Theoretical study of solvent effects on the thermodynamics of iron(III) [tetrakis(pentafluorophenyl)]porphyrin chloride dissociationRustam Z Khaliullin, Martin Head-Gordon, Alexis T BellThe Journal of Biological Chemistry|June 22, 2017
Mechanistic elucidation of the mycofactocin-biosynthetic radical <i>S</i>-adenosylmethionine protein, MftCBulat Khaliullin, Richard Ayikpoe, Mason Tuttle, et al.Nanotechnologies in Russia|October 13, 2015
Carbon Nanotubes Exposure Risk Assessment: From Toxicology to Epidemiologic Studies (Overview of the Current Problem)L M Fatkhutdinova, T O Khaliullin, A A ShvedovaJournal of Chemical Theory and Computation|November 22, 2018
Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave FunctionsRuben Staub, Marcella Iannuzzi, Rustam Z Khaliullin, et al.Pageof 14