Computational prediction of α/β selectivities in the pyrolysis of oxygen-substituted phenethyl phenyl ethers

Journal of Physical Chemistry A

Volumn 112, Issue 22, 2008, Pages 4982-4988

  Beste, Ariana ^a   Buchanan III, A C ^a   Harrison, Robert J ^a,b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF TENNESSEE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL PREDICTIONS; PHENYL ETHERS;

CHEMICAL REACTIONS; ETHERS; OXYGEN;

ORGANIC COMPOUNDS;

DIPHENYL ETHER DERIVATIVE; FREE RADICAL; HYDROGEN; LIGNIN; OXYGEN; VEGETABLE PROTEIN;

ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; KINETICS; METHODOLOGY; PHYSICAL CHEMISTRY; PROTEIN CONFORMATION;

CHEMISTRY, PHYSICAL; COMPUTATIONAL BIOLOGY; FREE RADICALS; HYDROGEN; KINETICS; LIGNIN; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXYGEN; PHENYL ETHERS; PLANT PROTEINS; PROTEIN CONFORMATION; SOFTWARE;

EID: 48849101677     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800767j     Document Type: Article

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