C. Jay Smallwood

Characterization of Low-Barrier Hydrogen Bonds. 7. Relationship between Strength and Geometry of Short-Strong Hydrogen Bonds. The Formic Acid−Formate Anion Model System. An ab Initio and DFT Investigation

C. Jay Smallwood, Michael A. McAllister · Journal of the American Chemical Society · 1997 · 80 citations

Natural Sciences, Chemistry, Physics +14

A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory

C. Jay Smallwood, Ross E. Larsen, William J. Glover et al. · The Journal of Chemical Physics · 2006 · 44 citations · Full text

Natural Sciences, Chemistry, Physics +16

Low-barrier hydrogen bonds:Abinitio and DFT investigation

Ganesh A. Kumar, Yongping Pan, C. Jay Smallwood et al. · Journal of Computational Chemistry · 1998 · 43 citations

Natural Sciences, Chemistry, Physics +17

The role of electronic symmetry in charge-transfer-to-solvent reactions: Quantum nonadiabatic computer simulation of photoexcited sodium anions

C. Jay Smallwood, Wayne B. Bosma, Ross E. Larsen et al. · The Journal of Chemical Physics · 2003 · 32 citations · Full text

Natural Sciences, Chemistry, Physics +17

A computationally efficient exact pseudopotential method. II. Application to the molecular pseudopotential of an excess electron interacting with tetrahydrofuran (THF)

C. Jay Smallwood, Cesar N. Mejia, William J. Glover et al. · The Journal of Chemical Physics · 2006 · 16 citations · Full text

Natural Sciences, Chemistry, Physics +17