Quantum mechanical scattering calculations on a spline-fitted ab initio surface: the He + H+2 (ν = 0, 1, 2) → HeH+ + H reaction

Dynamics of the Collinear H+H2 Reaction. I. Probability Density and Flux

E. A. McCullough, Róbert E. Wyatt · The Journal of Chemical Physics · 1971 · 288 citations

Natural Sciences, Physics, Physical Chemistry +14

Quasiclassical trajectory studies using 3D spline interpolation of <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> surfaces

N. Sathyamurthy, Lionel M. Raff · The Journal of Chemical Physics · 1975 · 138 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Use of the method of diatomics-in-molecules in fitting ab initio potential surfaces:the system HeH+2

P. J. Kuntz · Chemical Physics Letters · 1972 · 123 citations

Natural Sciences, Chemistry, Physics +14

Nonempirical LCAO–MO–SCF Study of the Energy Surface for Linear HeH2+

P. J. Brown, Edward F. Hayes · The Journal of Chemical Physics · 1971 · 115 citations

Natural Sciences, Chemistry, Physics +17

Trajectory calculation of the effectiveness of reagent vibration in the H+2+He→HeH++H or He+H+H+ reactions

W.N. Whitton, P. J. Kuntz · The Journal of Chemical Physics · 1976 · 99 citations

Natural Sciences, Chemistry, Physics +17