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The Journal of Physical Chemistry. A|July 13, 2006
Triazolium-based energetic ionic liquidsMichael W Schmidt, Mark S Gordon, Jerry A Boatz
Physical Chemistry Chemical Physics : PCCP|September 29, 2015
Ab initio investigation of the aqueous solvation of the nitrate ionSpencer R Pruitt, Kurt R Brorsen, Mark S Gordon
The Journal of Chemical Physics|May 6, 2006
Growing multiconfigurational potential energy surfaces with applications to X + H2 (X = C,N,O) reactionsHeather M Netzloff, Michael A Collins, Mark S Gordon
The Journal of Physical Chemistry. B|July 26, 2006
Comparative study of surface cycloadditions of ethylene and 2-butene on the Si(100)-2 x 1 surfaceHee Soon Lee, Cheol Ho Choi, Mark S Gordon
Journal of the American Chemical Society|November 5, 2025
Atoms and Bonds as Synergisms of Interacting Electrons and Nuclei. The Origin of Chemical Bonds in Polyatomic MoleculesDaniel Del Angel Cruz, Mark S Gordon, Klaus Ruedenberg
Journal of Chemical Theory and Computation|April 4, 2022
A Task-Based Approach to Parallel Restricted Hartree-Fock CalculationsDavid Poole, Jorge L Galvez Vallejo, Mark S Gordon
Journal of the American Chemical Society|May 23, 2002
Structure and thermodynamics of carbon and carbon/silicon precursors to nanostructuresVassiliki-Alexandra Glezakou, Jerry A Boatz, Mark S Gordon
The Journal of Physical Chemistry. A|April 21, 2011
Benzene-pyridine interactions predicted by the effective fragment potential methodQuentin A Smith, Mark S Gordon, Lyudmila V Slipchenko
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 Gordon
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