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The Journal of Physical Chemistry. A|September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of UreaAaron C West, Michael W Schmidt, Mark S Gordon, et al.The Journal of Physical Chemistry. A|October 1, 2008
Comparison of nitroaldol reaction mechanisms using accurate ab initio calculationsDeborah Zorn, Victor S-Y Lin, Marek Pruski, et al.The Journal of Chemical Physics|December 24, 2013
A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functionsAaron C West, Michael W Schmidt, Mark S Gordon, et al.The Journal of Physical Chemistry. A|February 18, 2017
Multipole Moments in the Effective Fragment Potential MethodColleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.Accounts of Chemical Research|May 10, 2014
Efficient and accurate fragmentation methodsSpencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2023
Analysis of the bonding in tetrahedrane and phosphorus-substituted tetrahedranesDaniel Del Angel Cruz, Jorge L Galvez Vallejo, Mark S GordonJournal of Chemical Theory and Computation|June 21, 2023
Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry CalculationsMelisa Alkan, Buu Q Pham, Jeff R Hammond, et al.Journal of Chemical Theory and Computation|May 20, 2026
Hierarchical Truncations for Many-Body Expansion PotentialsBryce M Westheimer, Mark S Gordon, Emilie B Guidez, et al.The Journal of Physical Chemistry. B|September 18, 2008
An interface between the universal force field and the effective fragment potential methodDeborah Zorn, Victor S-Y Lin, Marek Pruski, et al.The Journal of Chemical Physics|July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential moleculesQuentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.Pageof 25