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Journal of Physical Organic Chemistry

Volumn 26, Issue 12, 2013, Pages 1077-1083

Equilibrium constants for enolization in solution by computation alone

(2) Guthrie, J Peter a Povar, Igor b

a UNIVERSITY OF WESTERN ONTARIO (Canada)

b INSTITUTE OF CHEMISTRY (Moldova)

Author keywords

enolization; equilibrium constant; molecular orbital calculations; solvation

Indexed keywords

1 ,3-CYCLOHEXANEDIONE; DIETHYL MALONATES; ENOLIZATION; EQUILIBRIUM FREE ENERGY; EXPERIMENTAL VALUES; FREE ENERGY CHANGE; PARAMETERIZATION SCHEMES; WEAK HYDROGEN BONDING;

FREE ENERGY; HYDROGEN BONDS; MOLECULAR ORBITALS; ORBITAL CALCULATIONS; SOLVATION;

EQUILIBRIUM CONSTANTS;

EID: 84888430347 PISSN: 08943230 EISSN: 10991395 Source Type: Journal
DOI: 10.1002/poc.3168 Document Type: Article

Times cited : (8)

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