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 - researchr publication

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Jesús Lezama, José R. Mora, Edgar Márquez, Tania Córdova, Gabriel Chuchani. 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. J. Comput. Meth. in Science and Engineering, 12(4-6):247-260, 2012. [doi]

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