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The 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 Gordon
Journal 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 Gordon
The Journal of Physical Chemistry. A|March 14, 2018
Quasi-Atomic Bonding Analysis of Xe-Containing CompoundsJuan J Duchimaza Heredia, Klaus Ruedenberg, Mark S Gordon
The 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 Gordon
The 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 Gordon
Physical 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 Gordon
The Journal of Physical Chemistry. A|January 13, 2006
Modeling styrene-styrene interactionsIvana Adamovic, Hui Li, Monica H Lamm, et al.
Journal of Chemical Theory and Computation|December 18, 2024
Systematic Investigation of Electronic States and Bond Properties of LnO, LnO+, LnS, and LnS+ (Ln = La-Lu) by Spin-Orbit Multiconfiguration Perturbation TheoryTaiji Nakamura, George Schoendorff, Dong-Sheng Yang, et al.
The Journal of Physical Chemistry. A|February 6, 2007
Theoretical study of the pyrolysis of methyltrichlorosilane in the gas phase. 1. ThermodynamicsYingbin Ge, Mark S Gordon, Francine Battaglia, et al.
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