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 Lezama; José Ramón Mora; Edgar Márquez; Tania Córdova; Gabriel Chuchani (J. Comput. Methods Sci. Eng., 2012)