T. Gavin Williams

Accurate thermochemistry for transition metal complexes from first-principles calculations

Nathan J. DeYonker, T. Gavin Williams, Adam Imel et al. · The Journal of Chemical Physics · 2009 · 112 citations

Natural Sciences, Chemistry, Computational Chemistry +15

Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

Sammer M. Tekarli, Michael L. Drummond, T. Gavin Williams et al. · The Journal of Physical Chemistry A · 2009 · 104 citations · Full text

Natural Sciences, Chemistry, Physics +13

Computation of potential energy surfaces with the multireference correlation consistent composite approach

Benjamin Mintz, T. Gavin Williams, Levi Howard et al. · The Journal of Chemical Physics · 2009 · 47 citations

Natural Sciences, Chemistry, Computational Chemistry +12

Hartree-Fock complete basis set limit properties for transition metal diatomics

T. Gavin Williams, Nathan J. DeYonker, Angela K. Wilson · The Journal of Chemical Physics · 2008 · 42 citations

Natural Sciences, Chemistry, Physics +13

Activation of Carbon−Hydrogen and Hydrogen−Hydrogen Bonds by Copper−Nitrenes: A Comparison of Density Functional Theory with Single- and Multireference Correlation Consistent Composite Approaches

Sammer M. Tekarli, T. Gavin Williams, Thomas R. Cundari · Journal of Chemical Theory and Computation · 2009 · 35 citations · Full text

Natural Sciences, Chemistry, Physics +17