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The Journal of Chemical Physics|November 6, 2007
Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling methodLaimutis Bytautas, Takeshi Nagata, Mark S Gordon, et al.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 GordonThe 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 GordonJournal 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 RuedenbergJournal 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 GordonJournal 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 GordonThe 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 SlipchenkoThe 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 GordonPageof 25