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Journal of Computational Chemistry|March 4, 2020
Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzeneLu T Xu, David L Cooper, Thom H DunningJournal of Chemical Theory and Computation|June 25, 2026
A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen BondingLong H Nguyen, Thom H Dunning, Sotiris S XantheasThe Journal of Physical Chemistry. A|August 23, 2021
New Insights into the Remarkable Difference between CH<sub>5</sub><sup>-</sup> and SiH<sub>5</sub><sup></sup>Thom H Dunning, Lu T Xu, Jasper V K ThompsonThe Journal of Physical Chemistry. A|March 12, 2019
Spin-Coupled Generalized Valence Bond Description of Group 14 Species: The Carbon, Silicon and Germanium Hydrides, XH <sub>n</sub> ( n = 1-4)Lu T Xu, Jasper V K Thompson, Thom H DunningPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|June 14, 2003
Promise and challenge of high-performance computing, with examples from molecular modellingThom H Dunning, Robert J Harrison, David Feller, et al.The Journal of Physical Chemistry. A|March 8, 2021
Spin-Coupled Generalized Valence Bond Theory: New Perspect<b>i</b>ves on the Electronic Structure of Molecules and Chemical BondsThom H Dunning, Lu T Xu, David L Cooper, et al.The Journal of Physical Chemistry. A|February 25, 2016
Insights into the Electronic Structure of Molecules from Generalized Valence Bond TheoryThom H Dunning, Lu T Xu, Tyler Y Takeshita, et al.Accounts of Chemical Research|January 14, 2021
Quantum Chemical Cluster Studies of Cation-Ice Reactions for Astrochemical Applications: Seeking Experimental ConfirmationDavid E WoonPhysical Chemistry Chemical Physics : PCCP|October 9, 2015
Quantum chemical protocols for modeling reactions and spectra in astrophysical ice analogs: the challenging case of the C⁺ + H₂O reaction in icy grain mantlesDavid E WoonThe Journal of Physical Chemistry. A|July 27, 2022
Icy Grain Mantle Surface Astrochemistry of MgNC: The Emergence of Metal Ion Catalysis Studied via Model Ice Cluster CalculationsDavid E WoonPageof 6