Donald G. Truhlar

Research interests

Publications

• 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

  The Journal of Physical Chemistry B · 2009 · https://doi.org/10.1021/jp810292n

• Density Functionals with Broad Applicability in Chemistry

  Accounts of Chemical Research · 2008 · https://doi.org/10.1021/ar700111a

• 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

  Theoretical Chemistry Accounts · 2007 · https://doi.org/10.1007/s00214-007-0310-x

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

  The Journal of Chemical Physics · 2006 · https://doi.org/10.1063/1.2370993

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

  Journal of Chemical Theory and Computation · 2006 · https://doi.org/10.1021/ct0502763

Current projects

No projects listed.