ABCRATE: A program for the calculation of atom-diatom reaction rates

DOI10.1016/S0010-4655(97)00137-9zbMath0932.80005WikidataQ57402377 ScholiaQ57402377MaRDI QIDQ1299588

Thomas C. Allison, Donald G. Truhlar, Bruce C. Garrett, Gillian C. Lynch

Publication date: 25 October 1999

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

computer programtunnelingkineticsABCRATEatom-diatom chemical reaction ratesvariational transition state theory

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Chemically reacting flows (80A32) Variational methods applied to problems in thermodynamics and heat transfer (80M30)

Related Items (2)

POTLIB 2001: A potential energy surface library for chemical systems ⋮ ABCRATE

Uses Software

• POLYRATE

Cites Work

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