Ab initio studies of thermal syn-elimination reactions in carbonates: Effect of structure on reactivity

Journal of Physical Chemistry A

Volumn 106, Issue 51, 2002, Pages 12370-12375

  Van Speybroeck, V ^a   Martele, Y ^a   Schacht, E ^a   Waroquier, M ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARBON DIOXIDE; CHEMICAL BONDS; CONFORMATIONS; METHANOL; OPTIMIZATION; POLYCARBONATES; PROBABILITY DENSITY FUNCTION; PYROLYSIS; REACTION KINETICS; TEMPERATURE;

ELEVATED TEMPERATURE; HAMMETT EQUATION; LEAST SQUARES FIT; THERMAL ELIMINATION REACTIONS;

CARBONATES;

EID: 0037180881     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0259723     Document Type: Article

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