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The Journal of Chemical Physics|January 22, 2009
Efficient global representations of potential energy functions: trajectory calculations of bimolecular gas-phase reactions by multiconfiguration molecular mechanicsOksana Tishchenko, Donald G TruhlarJournal of Chemical Theory and Computation|November 18, 2015
Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal AtomsHaoyu Yu, Donald G TruhlarJournal of Chemical Theory and Computation|November 21, 2015
Screened Electrostatic Interactions in Molecular MechanicsBo Wang, Donald G TruhlarJournal of Chemical Theory and Computation|November 21, 2015
Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge ModelBo Wang, Donald G TruhlarJournal of Chemical Theory and Computation|November 27, 2015
Non-Hermitian Multiconfiguration Molecular MechanicsOksana Tishchenko, Donald G TruhlarJournal of Chemical Theory and Computation|November 27, 2015
Efficient Approach to Reactive Molecular Dynamics with Accurate ForcesMasahiro Higashi, Donald G TruhlarJournal of Chemical Theory and Computation|December 1, 2015
Including Charge Penetration Effects in Molecular ModelingBo Wang, Donald G TruhlarJournal of Chemical Theory and Computation|December 1, 2015
Combined Quantum Mechanical and Molecular Mechanical Methods for Calculating Potential Energy Surfaces: Tuned and Balanced Redistributed-Charge AlgorithmBo Wang, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Electrostatically Embedded Multiconfiguration Molecular Mechanics Based on the Combined Density Functional and Molecular Mechanical MethodMasahiro Higashi, Donald G TruhlarJournal of Chemical Theory and Computation|November 26, 2015
Accuracy of Effective Core Potentials and Basis Sets for Density Functional Calculations, Including Relativistic Effects, As Illustrated by Calculations on Arsenic CompoundsXuefei Xu, Donald G TruhlarPageof 64