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Journal of the American Chemical Society|March 3, 2005
Cycloaddition of benzene on Si(100) and its surface conversionsYousung Jung, Mark S GordonThe Journal of Chemical Physics|December 2, 2009
Comparative study of multireference perturbative theories for ground and excited statesMark R Hoffmann, Dipayan Datta, Sanghamitra Das, et al.The Journal of Chemical Physics|October 23, 2021
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital modelBryce M Westheimer, Mark S GordonThe Journal of Physical Chemistry. B|June 3, 2009
Alanine: then there was waterJonathan M Mullin, Mark S GordonThe Journal of Physical Chemistry. B|October 1, 2009
Water and alanine: from puddles(32) to ponds(49)Jonathan M Mullin, Mark S GordonThe Journal of Physical Chemistry. A|May 14, 2008
An interpretation of the enhancement of the water dipole moment due to the presence of other water moleculesDaniel D Kemp, Mark S GordonJournal of Chemical Theory and Computation|June 25, 2024
A Merger of the Spin-Flip ORMAS Approach and the MC-PDFT MethodKatherine N Ferreras, Mark S GordonJournal of Computational Chemistry|December 5, 2006
Electrostatic energy in the effective fragment potential method: theory and application to benzene dimerLyudmila V Slipchenko, Mark S GordonThe Journal of Physical Chemistry. A|December 19, 2014
Modeling systems with π-π interactions using the Hartree-Fock method with an empirical dispersion correctionJustin A Conrad, Mark S GordonThe Journal of Physical Chemistry. A|December 22, 2005
Influence of multi-atom bridging ligands on the electronic structure and magnetic properties of homodinuclear titanium moleculesChristine M Aikens, Mark S GordonPageof 27