DFT and ab-initio study on the mechanism of the gas-phase elimination kinetics of 1-chloro-3-methylbut-2-ene and 3-chloro-3-methylbut-1-ene and their isomerization.
Jesús LezamaJosé Ramón MoraEdgar MárquezTania CórdovaGabriel ChuchaniPublished in: J. Comput. Methods Sci. Eng. (2012)