Quantum mechanical reactive scattering using a high-performance distributed-memory parallel computer

Variational transition-state theory

Donald G. Truhlar, Bruce C. Garrett · Accounts of Chemical Research · 1980 · 1.3K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

Theory of chemical reaction dynamics

Marcel D. Baer · Medical Entomology and Zoology · 1985 · 1.3K citations

Natural Sciences, Chemistry, Physics +12

The cosmic cube

Charles L. Seitz · Communications of the ACM · 1985 · 1.2K citations · Full text

Computing, Computer Engineering, Computer Science +8

Variational Transition State Theory

Donald G. Truhlar · Annual Review of Physical Chemistry · 1984 · 892 citations

Natural Sciences, Chemistry, Physics +13

The multichannel log-derivative method for scattering calculations

Bruce R. Johnson · Journal of Computational Physics · 1973 · 807 citations

Natural Sciences, Chemistry, Computational Chemistry +8