Ab initio study of the two competitive channels HO2 + H → H2 + O2 and HO2 + H → H2O + O

Optimization of equilibrium geometries and transition structures

H. Bernhard Schlegel · Journal of Computational Chemistry · 1982 · 3.9K citations

Natural Sciences, Chemistry, Computational Chemistry +14

Rotation-Vibration Spectra of Deuterated Water Vapor

W. S. Benedict, N. M. Gailar, Earle K. Plyler · The Journal of Chemical Physics · 1956 · 1.3K citations

Natural Sciences, Chemistry, Spectroscopic Analysis +12

Energy extrapolation in CI calculations

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1975 · 1K citations

Natural Sciences, Physics, Computational Chemistry +3

Size consistency in the dilute helium gas electronic structure

Ernest R. Davidson, Donald W. Silver · Chemical Physics Letters · 1977 · 620 citations

Natural Sciences, Physics, Condensed Matter Physics +13

A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule

A.R. Hoy, P. R. Bunker · Journal of Molecular Spectroscopy · 1979 · 268 citations

Natural Sciences, Chemistry, Physics +13