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Physical Chemistry Chemical Physics : PCCP|May 27, 2010
Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodesKevin Leung, Joanne L BudzienThe Journal of Chemical Physics|January 19, 2007
Ab initio molecular dynamics study of manganese porphine hydration and interaction with nitric oxideKevin Leung, Craig J MedforthCommunications Chemistry|January 25, 2023
Ab initio molecular dynamics free energy study of enhanced copper (II) dimerization on mineral surfacesKevin Leung, Jeffery A GreathouseThe Journal of Chemical Physics|December 23, 2019
Anodic decomposition of surface films on high voltage spinel surfaces-Density function theory and experimental studyKevin Leung, Rosy, Malachi NokedJournal of Physics. Condensed Matter : an Institute of Physics Journal|July 8, 2017
Lead and selenite adsorption at water-goethite interfaces from first principlesKevin Leung, Louise J CriscentiPhysical Chemistry Chemical Physics : PCCP|July 17, 2024
Modeling separation of lanthanides via heterogeneous ligand bindingKevin Leung, Anastasia G IlgenJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 8, 2012
Predicting the acidity constant of a goethite hydroxyl group from first principlesKevin Leung, Louise J CriscentiThe Journal of Chemical Physics|August 28, 2012
Hydration structures of U(III) and U(IV) ions from ab initio molecular dynamics simulationsKevin Leung, Tina M NenoffThe Journal of Physical Chemistry. A|August 7, 2010
Cobalt-porphyrin catalyzed electrochemical reduction of carbon dioxide in water. 1. A density functional study of intermediatesIda M B Nielsen, Kevin LeungAccounts of Chemical Research|October 1, 2016
Computational Exploration of the Li-Electrode|Electrolyte Interface in the Presence of a Nanometer Thick Solid-Electrolyte Interphase LayerYunsong Li, Kevin Leung, Yue QiPageof 15