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About

Donald Gene Truhlar is an American scientist working in theoretical and computational chemistry and chemical physics with special emphases on quantum mechanics and chemical dynamics.

Most cited

1,874 papers in total

2007 · Theoretical Chemistry Accounts

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

30,767 citationsRead

2009 · The Journal of Physical Chemistry B

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

18,188 citationsRead

2008 · Accounts of Chemical Research

Density Functionals with Broad Applicability in Chemistry

7,181 citationsRead

2006 · The Journal of Chemical Physics

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

5,272 citationsRead

2006 · Journal of Chemical Theory and Computation

Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions

3,790 citationsRead

2014 · Molecular Physics

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

3,168 citationsRead