Trends in bond dissociation energies of alcohols and aldehydes computed with multireference averaged coupled-pair functional theory

Journal of Physical Chemistry A

Volumn 118, Issue 17, 2014, Pages 3039-3050

  Oyeyemi, Victor B ^a   Keith, John A ^a,c   Carter, Emily A ^a,b  

^a Princeton University   (United States)

^b PRINCETON UNIVERSITY   (United States)

^c University of Pittsburgh   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; ALDEHYDES; BOND STRENGTH (MATERIALS); ISOMERS;

ABSTRACTION REACTIONS; BOND DISSOCIATION ENERGIES; COMBUSTION CHEMISTRY; CORRELATED WAVE FUNCTIONS; GEOMETRY RELAXATION; HYDROGEN ABSTRACTION; INVERSE RELATIONSHIP; RESONANCE STABILIZATION;

CHEMICAL BONDS;

EID: 84899880971     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp501636r     Document Type: Article

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