Path-dependent variational effects and multidimensional tunneling in multi-path variational transition state theory: rate constants calculated for the reactions of HO2 with tert-butanol by including all 46 paths for abstraction at C and all six paths for abstraction at O

Junwei Lucas Bao, Pattrawan Sripa, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

48 Scopus citations

Fingerprint

Dive into the research topics of 'Path-dependent variational effects and multidimensional tunneling in multi-path variational transition state theory: rate constants calculated for the reactions of HO2 with tert-butanol by including all 46 paths for abstraction at C and all six paths for abstraction at O'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy