Multi-path variational transition state theory for chiral molecules: The site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy

Junwei Lucas Bao, Rubén Meana-Pañeda, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

58 Scopus citations

Fingerprint

Dive into the research topics of 'Multi-path variational transition state theory for chiral molecules: The site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy'. Together they form a unique fingerprint.

Chemical Compounds