David W. Small

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

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Natural Sciences, Chemistry, Physics +17

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

Intermolecular π-to-π Bonding between Stacked Aromatic Dyads. Experimental and Theoretical Binding Energies and Near-IR Optical Transitions for Phenalenyl Radical/Radical versus Radical/Cation Dimerizations

David W. Small, V. G. Zaitsev, Yousung Jung et al. · Journal of the American Chemical Society · 2004 · 313 citations

Natural Sciences, Chemistry, Physics +17

Nickel-catalysed anti-Markovnikov hydroarylation of unactivated alkenes with unactivated arenes facilitated by non-covalent interactions

Noam I. Saper, Akito Ohgi, David W. Small et al. · Nature Chemistry · 2020 · 203 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +14

The Theory of Electron Transfer Reactions:  What May Be Missing?

David W. Small, Dmitry V. Matyushov, Gregory A. Voth · Journal of the American Chemical Society · 2003 · 180 citations

Natural Sciences, Chemistry, Physics +17