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The 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 TruhlarThe Journal of Physical Chemistry. A|July 13, 2006
Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculationsHai Lin, Donald G TruhlarJournal of Chemical Theory and Computation|January 9, 2023
Decoherence and Its Role in Electronically Nonadiabatic DynamicsYinan Shu, Donald G TruhlarJournal of the American Chemical Society|September 7, 2017
Doubly Excited Character or Static Correlation of the Reference State in the Controversial 21Ag State of trans-Butadiene?Yinan Shu, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Conservative Algorithm for an Adaptive Change of Resolution in Mixed Atomistic/Coarse-Grained Multiscale SimulationsAndreas Heyden, Donald G TruhlarPageof 64