Quasiclassical trajectory study of H + O2 → OH + O at temperatures from 500 to 2000 K

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Nitrogen Molecules, Engineering, Computational Chemistry +16

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

Spectral Theory, Engineering, Gaussian-type Orbitals +18

Gaussian-Type Functions for Polyatomic Systems. II

Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations

Engineering, Generalized Function, Physics +14

A progress report on the status of the COLUMBUSMRCI program system

Ron Shepard, Isaiah Shavitt, Russell M. Pitzer et al. · International Journal of Quantum Chemistry · 1988 · 358 citations

Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction

M. R. Pastrana, L. A. M. Quintales, João Brandão et al. · The Journal of Physical Chemistry · 1990 · 252 citations