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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.Journal of Chemical Information and Modeling|February 8, 2017
ParFit: A Python-Based Object-Oriented Program for Fitting Molecular Mechanics Parameters to ab Initio DataFederico Zahariev, Nuwan De Silva, Mark S Gordon, et al.Physical Chemistry Chemical Physics : PCCP|July 30, 2024
Analysis of bonding motifs in unusual molecules I: planar hexacoordinated carbon atomsDaniel Del Angel Cruz, Katherine N Ferreras, Taylor Harville, et al.Journal of the American Chemical Society|September 27, 2013
Lewis base mediated β-elimination and Lewis acid mediated insertion reactions of disilazido zirconium compoundsKaKing Yan, Juan J Duchimaza Heredia, Arkady Ellern, et al.The Journal of Chemical Physics|July 22, 2025
Diffusion-mediated passing of molecular species in linear nanopores constrained by orientational alignmentYong Han, Md Khaledur Rahman, Yu Lim Kim, et al.Journal of the American Chemical Society|October 23, 2010
A paradigm for blue- or red-shifted absorption of small molecules depending on the site of π-extensionKenneth Hanson, Luke Roskop, Peter I Djurovich, et al.Journal of Chemical Theory and Computation|November 24, 2015
Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital MethodGraham D Fletcher, Dmitri G Fedorov, Spencer R Pruitt, et al.Pageof 27