Open AccessTheoretical investigation of mechanism for the gas-phase reaction of OH radical and ethane
Author(s) -
B. X. Wang
Publication year - 2011
Publication title -
journal of atomic and molecular sciences
Language(s) - English
Resource type - Journals
eISSN - 2079-7346
pISSN - 2075-1303
DOI - 10.4208/jams.122810.011811a
Subject(s) - basis set , transition state , hydrogen atom abstraction , ab initio , chemistry , potential energy surface , basis (linear algebra) , reaction mechanism , gas phase , transition state theory , computational chemistry , hydrogen , density functional theory , physics , kinetics , catalysis , mathematics , reaction rate constant , geometry , quantum mechanics , organic chemistry