Mark S. Gordon

Recent developments in the general atomic and molecular electronic structure system

Giuseppe M. J. Barca, Colleen Bertoni, Laura Carrington et al. · The Journal of Chemical Physics · 2020 · 1.4K citations · Full text

Fragment Molecular Orbital, Engineering, Computer Architecture +21

Benchmarking the performance of time-dependent density functional methods

Sarom S. Leang, Federico Zahariev, Mark S. Gordon · The Journal of Chemical Physics · 2012 · 333 citations · Full text

Numerical Analysis, Engineering, Density Functionals +16

Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation

Dmitri G. Fedorov, Shiro Koseki, Michael W. Schmidt et al. · International Reviews in Physical Chemistry · 2003 · 326 citations

Spin-orbit Effects, Spin Dynamic, Physics +15

Enthalpies of Formation of Gas-Phase N₃, N₃^-, N₅⁺, and N₅^-from Ab Initio Molecular Orbital Theory, Stability Predictions for N₅⁺N₃^-and N₅⁺N₅^-, and Experimental Evidence for the Instability of N₅⁺N₃^-

David A. Dixon, David Feller, Karl O. Christe et al. · Journal of the American Chemical Society · 2003 · 192 citations

Chemical Kinetics, Engineering, Computational Chemistry +16

Triazolium-Based Energetic Ionic Liquids

Michael Schmidt, Mark S. Gordon, Jerry A. Boatz · The Journal of Physical Chemistry A · 2005 · 166 citations

Materials Science, Inorganic Chemistry, Solid-state Ionic +12