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Journal of Computational Chemistry|March 5, 2016
A new approach for second-order perturbation theoryDavid G Tomlinson, Andrey Asadchev, Mark S GordonJournal of the American Chemical Society|July 15, 2020
Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding AnalysisEmilie B Guidez, Mark S Gordon, Klaus RuedenbergThe Journal of Physical Chemistry. A|July 3, 2018
Benchmarking of the R-7 Anisotropic Dispersion Energy Term on the S22 Dimer Test SetLuke Schoeberle, Emilie B Guidez, Mark S GordonThe Journal of Physical Chemistry. A|July 13, 2006
Triazolium-based energetic ionic liquidsMichael W Schmidt, Mark S Gordon, Jerry A BoatzPhysical 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 GordonThe 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 GordonPageof 27