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Journal of Computational Chemistry|December 21, 2005
Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivativesTimothy J Dudley, Ryan M Olson, Michael W Schmidt, et al.Journal of Chemical Theory and Computation|November 20, 2015
Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital MethodKurt R Brorsen, Federico Zahariev, Hiroya Nakata, et al.The Journal of Physical Chemistry. A|June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to RadonGeorge Schoendorff, Aaron C West, Michael W Schmidt, et al.The Journal of Physical Chemistry. A|June 10, 2010
Solvent-induced frequency shifts: configuration interaction singles combined with the effective fragment potential methodPooja Arora, Lyudmila V Slipchenko, Simon P Webb, et al.Journal of Computational Chemistry|March 11, 2004
A new hierarchical parallelization scheme: generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)Dmitri G Fedorov, Ryan M Olson, Kazuo Kitaura, et al.The Journal of Physical Chemistry. A|October 21, 2014
Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethaneAlexander Gaenko, Albert DeFusco, Sergey A Varganov, et al.Journal of Computational Chemistry|October 30, 2015
Nontotally symmetric trifurcation of an SN 2 reaction pathwayYu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.The Journal of Physical Chemistry. A|August 23, 2016
Threshold Ionization and Spin-Orbit Coupling of Ceracyclopropene Formed by Ethylene DehydrogenationYuchen Zhang, Michael W Schmidt, Sudesh Kumari, et al.Journal of Computational Chemistry|April 11, 2006
The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)Dmitri G Fedorov, Kazuo Kitaura, Hui Li, et al.The Journal of Chemical Physics|July 23, 2004
A study of the reactions of molecular hydrogen with small gold clustersSergey A Varganov, Ryan M Olson, Mark S Gordon, et al.Pageof 25