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The Journal of Chemical Physics|June 16, 2006
Charge transfer interaction in the effective fragment potential methodHui Li, Mark S Gordon, Jan H JensenThe Journal of Chemical Physics|July 5, 2013
Functional derivatives of meta-generalized gradient approximation (meta-GGA) type exchange-correlation density functionalsF Zahariev, S S Leang, Mark S GordonThe Journal of Physical Chemistry. A|March 21, 2015
Combined fragment molecular orbital cluster in molecule approach to massively parallel electron correlation calculations for large systemsAlexander D Findlater, Federico Zahariev, Mark S GordonThe Journal of Physical Chemistry. A|January 9, 2016
Derivation and Implementation of the Gradient of the R(-7) Dispersion Interaction in the Effective Fragment Potential MethodEmilie B Guidez, Peng Xu, Mark S GordonThe Journal of Physical Chemistry. B|June 15, 2013
Excited-state hydrogen atom transfer reaction in solvated 7-hydroxy-4-methylcoumarinNuwan De Silva, Noriyuki Minezawa, Mark S GordonPhysical Chemistry Chemical Physics : PCCP|July 31, 2019
Ionic liquids from a fragmented perspectiveJustin A Conrad, Shinae Kim, Mark S GordonJournal of Chemical Theory and Computation|April 3, 2023
Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum FunctionsBuu Q Pham, Melisa Alkan, Mark S GordonThe Journal of Physical Chemistry. A|March 31, 2011
Anharmonicity of weakly bound M(+)-H2 complexesNuwan De Silva, Bosiljka Njegic, Mark S GordonJournal 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 Si<sub>2</sub>H<sub>2</sub> Not Linear? An Intrinsic Quasi-Atomic Bonding AnalysisEmilie B Guidez, Mark S Gordon, Klaus RuedenbergPageof 25