Mechanistic diversity in thermal fragmentation reactions: A computational exploration of CO and CO2 extrusions from five-membered rings

Journal of Organic Chemistry

Volumn 78, Issue 15, 2013, Pages 7565-7574

  Rzepa, Henry S ^a   Wentrup, Curt ^b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EXPLORATION; DENSITY-FUNCTIONAL LEVEL; FLASH VACUUM THERMOLYSIS; FRAGMENTATION REACTIONS; INTERACTIVE PRESENTATION; INTRINSIC REACTION COORDINATE; MECHANISTIC DIVERSITY; THERMAL FRAGMENTATION;

CARBON DIOXIDE; CHEMICAL REACTIONS; COMPUTATIONAL METHODS;

REACTION INTERMEDIATES;

CARBON DIOXIDE; CARBON MONOXIDE;

ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; FRAGMENTATION REACTION; QUANTUM MECHANICS; REACTION ANALYSIS; TEMPERATURE;

EID: 84881239794     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo401146k     Document Type: Article

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