Kinetic analysis of the phenyl-shift reaction in β-O-4 lignin model compounds: A computational study

Journal of Organic Chemistry

Volumn 76, Issue 7, 2011, Pages 2195-2203

  Beste, Ariana ^a   Buchanan, A C ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC CORRECTION; COMPUTATIONAL STUDIES; INTEGRAL STEPS; KINETIC ANALYSIS; LIGNIN MODEL COMPOUND; LOW-FREQUENCY MODES; METHOXY; MIGRATION RATES; MODEL COMPOUND; O-METHOXY; PARA POSITION; PHENYL ETHERS; PHENYL RINGS; RELATIVE RATE CONSTANTS; SHIFT REACTIONS; TRANSITION STATE; TRANSITION STATE THEORIES;

DENSITY FUNCTIONAL THEORY; ETHERS; LIGNIN; ORGANIC COMPOUNDS; OXYGEN; PYROLYSIS; REACTION INTERMEDIATES;

RATE CONSTANTS;

BETA PHENETHYL PHENYL ETHER; LIGNIN; RADICAL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BINDING; CHEMICAL REACTION; CHEMICAL STRUCTURE; KINETICS; PYROLYSIS; RADICAL REACTION; STEADY STATE;

KINETICS; LIGNIN; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR STRUCTURE;

EID: 79953216364     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo2000385     Document Type: Article

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