DFT Theoretical Study on the Reaction Mechanism of the Nitrate Radical with Alkenes: 2-Butene, Isobutene, 2-Methyl-2-butene, and 2,3-Dimethyl-2-butene

6533b835fe1ef96bd129fe11

RESEARCH PRODUCT

DFT Theoretical Study on the Reaction Mechanism of the Nitrate Radical with Alkenes: 2-Butene, Isobutene, 2-Methyl-2-butene, and 2,3-Dimethyl-2-butene

M. Pilar Pérez-casany José Sánchez-marín Ignacio Nebot-gil

subject

chemistry.chemical_compound Reaction mechanism chemistry Nitrate 2-Methyl-2-butene Density functional theory Physical and Theoretical Chemistry Photochemistry 2-Butene

description

A general mechanism for the reactions of the NO3 radical with 2-butene, isobutene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene is proposed on the basis of density functional theory (DFT) calculati...

year	journal	country	edition	language
2000-10-25	The Journal of Physical Chemistry A

https://doi.org/10.1021/jp000666f

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