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The Journal of Physical Chemistry. A|August 22, 2018
Proton Transfer in 1,2,4-Triazolium Dinitramide: Effect of Aqueous MicrosolvationJustin A Conrad, Spencer R Pruitt, Mark S GordonJournal of Chemical Theory and Computation|November 19, 2015
Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon PhiSarom S Leang, Alistair P Rendell, Mark S GordonJournal of Chemical Theory and Computation|July 9, 2020
A New Kid on the Block: Application of Julia to Hartree-Fock CalculationsDavid Poole, Jorge L Galvez Vallejo, Mark S GordonThe Journal of Physical Chemistry. A|October 4, 2024
The Degradation of the 2-Hydroxyethylhydrazinium Nitrate Ionic Liquid SystemGeorge M Elliott, Jerry A Boatz, Mark S GordonJournal of the American Chemical Society|June 9, 2005
Cycloaddition isomerizations of adsorbed 1,3-cyclohexadiene on Si(100)-2x1 surface: first neighbor interactionsHee Soon Lee, Cheol Ho Choi, Mark S GordonThe Journal of Physical Chemistry. A|March 14, 2018
Quasi-Atomic Bonding Analysis of Xe-Containing CompoundsJuan J Duchimaza Heredia, Klaus Ruedenberg, Mark S GordonThe Journal of Chemical Physics|December 3, 2008
Solvent effects on optical properties of molecules: a combined time-dependent density functional theory/effective fragment potential approachSoohaeng Yoo, Federico Zahariev, Sarom Sok, et al.The Journal of Physical Chemistry. A|March 27, 2009
The binding of Ag+ and Au+ to etheneNina J Barnett, Lyudmila V Slipchenko, Mark S GordonThe Journal of Physical Chemistry. B|November 25, 2014
Surface affinity of the hydronium ion: the effective fragment potential and umbrella samplingKurt R Brorsen, Spencer R Pruitt, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|April 20, 2022
Molecular interactions in diffusion-controlled aldol condensation with mesoporous silica nanoparticlesYu Lim Kim, James W Evans, Mark S GordonPageof 25