Theoretical investigation of linalool oxidation

Journal of Physical Chemistry A

Volumn 110, Issue 44, 2006, Pages 12204-12212

  Bäcktorp, Carina ^a   Wass, J R Tobias Johnson ^a   Panas, Itai ^b   Sköld, Maria ^a   Börje, Anna ^a   Nyman, Gunnar ^a,c  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

^b CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^c BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HARMONIC ANALYSIS; OXIDATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RATE CONSTANTS; VOLATILE ORGANIC COMPOUNDS;

AUTOXIDATION; HARMONIC VIBRATIONAL FREQUENCIES; HYDROPEROXIDES; LINALOOL OXIDATION; QUANTUM MECHANICAL ELECTRONIC STRUCTURE;

ALCOHOLS;

2 METHYLPENT 2 ENE; 2-METHYL-2-PENTENE; 7 HYDROPEROXY 3,7 DIMETHYL OCTA 1,5 DIENE 3 OL; 7-HYDROPEROXY-3,7-DIMETHYL-OCTA-1,5-DIENE-3-OL; ALKENE; FATTY ALCOHOL; FREE RADICAL; INSECTICIDE; LINALOOL; TERPENE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; OXIDATION REDUCTION REACTION; QUANTUM THEORY;

ALKENES; COMPUTER SIMULATION; FATTY ALCOHOLS; FREE RADICALS; INSECTICIDES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; MONOTERPENES; OXIDATION-REDUCTION; QUANTUM THEORY;

EID: 33751315216     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0603278     Document Type: Article

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