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The Journal of Physical Chemistry. A|May 10, 2007
Thermochemical kinetics of hydrogen-atom transfers between methyl, methane, ethynyl, ethyne, and hydrogenJingjing Zheng, Yan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|December 19, 2012
Kinetics of the hydrogen atom abstraction reactions from 1-butanol by hydroxyl radical: theory matches experiment and morePrasenjit Seal, Gbenga Oyedepo, Donald G TruhlarJournal of the American Chemical Society|June 13, 2025
Criegee Intermediates Compete Well with OH as a Cleaning Agent for Atmospheric AmidesBo Long, Chaolu Xie, Donald G TruhlarJournal of the American Chemical Society|October 23, 2019
Multistructural Anharmonicity Controls the Radical Generation Process in Biofuel CombustionLili Xing, Zhandong Wang, Donald G TruhlarJournal of the American Chemical Society|April 14, 2005
Dependence of transition state structure on substrate: the intrinsic C-13 kinetic isotope effect is different for physiological and slow substrates of the ornithine decarboxylase reaction because of different hydrogen bonding structuresDaria Sicinska, Donald G Truhlar, Piotr PanethThe Journal of Chemical Physics|July 17, 2010
Communication: Energetics of reaction pathways for reactions of ethenol with the hydroxyl radical: the importance of internal hydrogen bonding at the transition stateOksana Tishchenko, Sonia Ilieva, Donald G TruhlarProceedings of the National Academy of Sciences of the United States of America|November 2, 2010
Metal-organic charge transfer can produce biradical states and is mediated by conical intersectionsOksana Tishchenko, Ruifang Li, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|January 23, 2018
Transition states of spin-forbidden reactionsBo Yang, Laura Gagliardi, Donald G TruhlarJournal of Chemical Theory and Computation|November 24, 2015
Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal CompoundsWenjing Zhang, Donald G Truhlar, Mingsheng TangThe Journal of Chemical Physics|August 21, 2009
Validation study of the ability of density functionals to predict the planar-to-three-dimensional structural transition in anionic gold clustersManjeera Mantina, Rosendo Valero, Donald G TruhlarPageof 1,194