Ab initio calculations on the mechanism of the oxidation of the hydroxymethyl radical by molecular oxygen in the gas phase: A significant reaction for environmental science

Chemistry - A European Journal

Volumn 7, Issue 15, 2001, Pages 3377-3386

  Olivella, Santiago ^a,c   Bofill, Josep M ^b   Solé, Albert ^b  

^a Centre de Recerca en Quimica Teorica   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

^c DEPARTMENT OF ENVIRONMENTAL CHEMISTRY   (Spain)

Author keywords

Ab initio calculations; Atmospheric chemistry; Hydrogen transfer; Radicals; Reaction mechanisms

Indexed keywords

DECOMPOSITION; ELECTRONIC STRUCTURE; OXIDATION; PROTONS; RATE CONSTANTS;

GASPHASE REACTION;

REACTION KINETICS;

FREE RADICAL; HYDROGEN; HYDROXYMETHYL RADICAL; OXYGEN; PERHYDROXYL RADICAL; PEROXIDE; PEROXY RADICAL; PROTON; RADICAL; UNCLASSIFIED DRUG;

ARTICLE; ATMOSPHERE; CALCULATION; CHEMICAL REACTION; CHEMISTRY; ELECTRON; ENERGY; OXIDATION; OXIDATION REDUCTION REACTION; PROTON TRANSPORT; QUANTUM CHEMISTRY; REACTION ANALYSIS; TEMPERATURE DEPENDENCE; THEORY;

ATMOSPHERE; FREE RADICALS; OXIDATION-REDUCTION; OXYGEN; PEROXIDES;

EID: 0035800463     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010803)7:15<3377::AID-CHEM3377>3.0.CO;2-8     Document Type: Article

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