Yi-Ping Liu

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

Variational transition-state theory and semiclassical tunnelling calculations with interpolated corrections: a new approach to interfacing electronic structure theory and dynamics for organic reactions

Wei‐Ping Hu, Yi-Ping Liu, Donald G. Truhlar · Journal of the Chemical Society Faraday Transactions · 1994 · 193 citations · Full text

Numerical Analysis, Engineering, 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

Validation of trajectory surface hopping methods against accurate quantum mechanical dynamics and semiclassical analysis of electronic-to-vibrational energy transfer

Maria S. Topaler, Michael D. Hack, Thomas C. Allison et al. · The Journal of Chemical Physics · 1997 · 71 citations

Quantum Dynamic, Engineering, Excitation Energy Transfer +22

Use of an improved ion–solvent potential-energy function to calculate the reaction rate and α-deuterium and microsolvation kinetic isotope effects for the gas-phase S<i>N</i>2 reaction of Cl−(H2O) with CH3Cl

Xin Zhao, Da-hong Lu, Yi-Ping Liu et al. · The Journal of Chemical Physics · 1992 · 42 citations

Reaction Rate, Engineering, Ch3 Internal Rotation +18