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Molecules (Basel, Switzerland)|April 2, 2020
Improved Predictive Tools for Structural Properties of Metal-Organic FrameworksIndrani Choudhuri, Donald G TruhlarJournal of Chemical Theory and Computation|June 17, 2021
How Accurate Are Approximate Density Functionals for Noncovalent Interaction of Very Large Molecular Systems?Dihua Wu, Donald G TruhlarJournal of Chemical Theory and Computation|July 28, 2021
Examination of How Well Long-Range-Corrected Density Functionals Satisfy the Ionization Energy TheoremSiriluk Kanchanakungwankul, Donald G TruhlarJournal of Chemical Theory and Computation|December 17, 2016
Validation of Density Functionals for Adsorption Energies on Transition Metal SurfacesKaining Duanmu, Donald G TruhlarThe Journal of Physical Chemistry. A|January 24, 2008
How well can new-generation density functionals describe the energetics of bond-dissociation reactions producing radicals?Yan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|August 31, 2021
Decomposition of the Electronic Energy in Terms of Density, Density Coherence, and the Connected Part of the Two-Body Reduced Density MatrixDayou Zhang, Donald G TruhlarThe Journal of Physical Chemistry. A|February 7, 2023
Electronic Excitation of ortho-FluorothiophenolJiaxin Ning, Donald G TruhlarThe Journal of Chemical Physics|December 20, 2012
Photochemistry in a dense manifold of electronic states: photodissociation of CH2ClBrRosendo Valero, Donald G TruhlarJournal of Chemical Theory and Computation|November 20, 2015
Including Torsional Anharmonicity in Canonical and Microcanonical Reaction Path CalculationsJingjing Zheng, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|March 4, 2020
The valence and Rydberg states of dienesJiaxin Ning, Donald G TruhlarPageof 1,194