Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen

Journal of Physical Chemistry A

Volumn 116, Issue 20, 2012, Pages 4934-4946

  Song, Xinli ^a   Fanelli, Matthew G ^a   Cook, Justin M ^a   Bai, Furong ^a   Parish, Carol A ^a  

^a UNIVERSITY OF RICHMOND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; BARRIER HEIGHTS; CCSD; COMPLEX REACTIONS; DIRECT OXIDATION; ENDOPEROXIDES; GROUND STATE OXYGEN; HIGH TEMPERATURE PROCESS; HYDROGEN ABSTRACTION; INITIATION MECHANISM; METHYLTHIOPHENE; PRODUCT CHANNEL; SINGLE-POINT CALCULATIONS; SINGLE-POINT ENERGY; SINGLET OXYGEN; STATIONARY POINTS; THEORETICAL RESULT; THIOPHENE RING;

CALCULATIONS; HYDROGEN; OXYGEN; QUANTUM CHEMISTRY;

THIOPHENE;

OXYGEN; THIOPHENE DERIVATIVE;

ARTICLE; CHEMISTRY; QUANTUM THEORY;

OXYGEN; QUANTUM THEORY; THIOPHENES;

EID: 84861520739     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp301919g     Document Type: Article

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