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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.Journal of Chemical Theory and Computation|November 24, 2015
Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy GradientKurt R Brorsen, Noriyuki Minezawa, Feng Xu, et al.The Journal of Physical Chemistry. A|August 31, 2018
Solvation of the Glycyl RadicalBun Chan, Jamie Rintelman, Geoffrey P F Wood, et al.Angewandte Chemie (International Ed. in English)|May 14, 2019
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization ExperimentsDonald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.The Journal of Physical Chemistry. A|July 18, 2015
Conformations of Organophosphine OxidesNuwan De Silva, Federico Zahariev, Benjamin P Hay, et al.The Journal of Chemical Physics|April 17, 2012
Incorporating a completely renormalized coupled cluster approach into a composite method for thermodynamic properties and reaction pathsSean A Nedd, Nathan J DeYonker, Angela K Wilson, et al.The Journal of Chemical Physics|March 2, 2022
Excited states of lutetium oxide and its singly charged cationLu Wu, George Schoendorff, Yuchen Zhang, et al.Physical Chemistry Chemical Physics : PCCP|December 11, 2025
Theoretical study of Si/C alternately substituted annulenes with a belt structureTakako Kudo, Katherine N Ferreras, Taiji Nakamura, et al.The Journal of Physical Chemistry. A|April 12, 2016
Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2Dmitry A Fedorov, Spencer R Pruitt, Kristopher Keipert, et al.Pageof 25