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The 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 GordonThe Journal of Chemical Physics|September 9, 2025
Water catalytic effect on the carbinolamine reaction with amine-catalyzed mesoporous silica nanoparticlesYu Lim Kim, Mark S GordonJournal of Computational Chemistry|September 25, 2004
Fast fragments: the development of a parallel effective fragment potential methodHeather M Netzloff, Mark S GordonThe Journal of Physical Chemistry. A|December 17, 2008
Water-benzene interactions: an effective fragment potential and correlated quantum chemistry studyLyudmila V Slipchenko, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|November 30, 2016
Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype studyBuu Q Pham, Mark S GordonThe Journal of Chemical Physics|July 30, 2004
The effective fragment potential: small clusters and radial distribution functionsHeather M Netzloff, Mark S GordonThe Journal of Chemical Physics|March 4, 2006
The structure of the Si9H12 cluster: A coupled cluster and multi-reference perturbation theory studyRyan M Olson, Mark S GordonThe Journal of Physical Chemistry. A|July 12, 2016
Ab Initio Investigation of Cation Proton Affinity and Proton Transfer Energy for Energetic Ionic LiquidsCaleb M Carlin, Mark S GordonJournal of Chemical Theory and Computation|February 28, 2019
Compressing the Four-Index Two-Electron Repulsion Integral Matrix using the Resolution-of-the-Identity Approximation Combined with the Rank Factorization ApproximationBuu Q Pham, Mark S GordonThe Journal of Physical Chemistry. A|July 13, 2006
Theoretical study of the solvation of fluorine and chlorine anions by waterDaniel D Kemp, Mark S GordonPageof 25