David A. Dixon

Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies

Chang‐Guo Zhan, Jeffrey A. Nichols, David A. Dixon · The Journal of Physical Chemistry A · 2003 · 1.5K citations

Natural Sciences, Chemistry, Physics +17

Parallel Douglas–Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas–Kroll contracted basis sets

Wibe A. de Jong, Robert J. Harrison, David A. Dixon · The Journal of Chemical Physics · 2001 · 993 citations

Natural Sciences, Chemistry, Physics +11

A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds

Carlos Sosa, Jan Andzelm, Brad C. Elkin et al. · The Journal of Physical Chemistry · 1992 · 764 citations

Natural Sciences, Chemistry, Physics +13

Hydrogen Bond Energy of the Water Dimer

Martin W. Feyereisen, David Feller, David A. Dixon · The Journal of Physical Chemistry · 1996 · 533 citations

Natural Sciences, Chemistry, Physics +13

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

Branko Ruščić, Albert F. Wagner, Lawrence B. Harding et al. · The Journal of Physical Chemistry A · 2002 · 504 citations

Natural Sciences, Chemistry, Physics +13