Conformations and enthalpies of formation of methylenecyclohexane, 1,4-dimethylenecyclohexane, cyclohexanone, 4-methylenecyclohexanone, 1,4-cyclohexanedione, and their mono- and dioxa derivatives by G3(MP2)//B3LYP calculations

Journal of Physical Organic Chemistry

Volumn 23, Issue 2, 2010, Pages 105-114

  Taskinen, Esko ^a  

^a UNIVERSITY OF TURKU   (Finland)

Author keywords

Carbonyl compounds; Conformations; Enthalpies of formation; G3(MP2) B3LYP calculations; Olefinic compounds

Indexed keywords

B3LYP CALCULATIONS; CARBONYL COMPOUNDS; CHAIR CONFORMATIONS; COMPUTATIONAL STUDIES; CYCLOHEXANONES; ENTHALPIES OF FORMATION; ENTHALPY LEVELS; ENTHALPY OF FORMATION; ESTER FUNCTIONS; GASPHASE; ISOMERIC COMPOUNDS; LITERATURE DATA; RELATED COMPOUNDS; RELATIVE STABILITIES; SPECTROSCOPIC PROPERTY; TITLE COMPOUNDS;

CARBONYLATION; ENTHALPY; ESTERIFICATION; ESTERS; FUNCTIONAL GROUPS; THERMODYNAMIC STABILITY; THERMODYNAMICS;

CONFORMATIONS;

EID: 76749163323     PISSN: 08943230     EISSN: 10991395     Source Type: Journal    
DOI: 10.1002/poc.1587     Document Type: Article

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