Rozeanne Steckler

POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

Da-hong Lu, Thanh N. Truong, Vasilios S. Melissas et al. · Computer Physics Communications · 1992 · 561 citations

Chemical Engineering, Engineering, Chemical Analysis +13

Ab initio reaction paths and direct dynamics calculations

Kim K. Baldridge, Mark S. Gordon, Rozeanne Steckler et al. · The Journal of Physical Chemistry · 1989 · 352 citations

Engineering, Chemical Analysis, Altmetric Attention Score +18

Algorithms and accuracy requirements for computing reaction paths by the method of steepest descent

Bruce C. Garrett, Michael J. Redmon, Rozeanne Steckler et al. · The Journal of Physical Chemistry · 1988 · 193 citations

Numerical Analysis, Engineering, Chemical Analysis +23

A new potential energy surface for the CH3+H2↔CH4+H reaction: Calibration and calculations of rate constants and kinetic isotope effects by variational transition state theory and semiclassical tunneling calculations

Tomi Joseph, Rozeanne Steckler, Donald G. Truhlar · The Journal of Chemical Physics · 1987 · 132 citations

Engineering, Reverse Reaction, Computational Chemistry +21

MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

Thanh N. Truong, Da-hong Lu, Gillian C. Lynch et al. · Computer Physics Communications · 1993 · 111 citations

Molecular Dynamics, Engineering, Physics +12