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The Journal of Chemical Physics|May 5, 2007
General orbital invariant MP2-F12 theoryHans-Joachim Werner, Thomas B Adler, Frederick R ManbyThe Journal of Chemical Physics|March 26, 2008
Dynamics of molecules in strong oscillating electric fields using time-dependent Hartree-Fock theoryHenk Eshuis, Gabriel G Balint-Kurti, Frederick R ManbyJournal of Chemical Theory and Computation|August 22, 2020
Accurate Hybrid Density Functionals with UW12 CorrelationZack M Williams, Timothy C Wiles, Frederick R ManbyThe Journal of Chemical Physics|August 4, 2007
Vibrationally selective optimal control of alignment and orientation using infrared laser pulses: application to carbon monoxideShiyang Zou, Gabriel G Balint-Kurti, Frederick R ManbyThe Journal of Chemical Physics|February 12, 2009
Local explicitly correlated second-order perturbation theory for the accurate treatment of large moleculesThomas B Adler, Hans-Joachim Werner, Frederick R ManbyJournal of Chemical Theory and Computation|June 9, 2018
Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster TheoryGiovanni Bistoni, Iakov Polyak, Manuel Sparta, et al.The Journal of Chemical Physics|July 21, 2004
Analytical energy gradients for local second-order Møller-Plesset perturbation theory using density fitting approximationsMartin Schütz, Hans-Joachim Werner, Roland Lindh, et al.Journal of the American Chemical Society|February 23, 2012
Retaining glycosyltransferase mechanism studied by QM/MM methods: lipopolysaccharyl-α-1,4-galactosyltransferase C transfers α-galactose via an oxocarbenium ion-like transition stateHansel Gómez, Iakov Polyak, Walter Thiel, et al.The Journal of Chemical Physics|April 20, 2005
The interpretation of molecular magnetic hyperfine interactionsJames A J Fitzpatrick, Frederick R Manby, Colin M WesternJournal of Chemical Theory and Computation|August 8, 2017
Linear-Response Time-Dependent Embedded Mean-Field TheoryFeizhi Ding, Takashi Tsuchiya, Frederick R Manby, et al.Pageof 12