An Ab initio and density functional theory study of keto-enol equilibria of hydroxycyclopropenone in gas and aqueous solution phase

Journal of Physical Chemistry A

Volumn 109, Issue 18, 2005, Pages 4149-4153

  Paine, S W ^a,c   Kresge, A J ^a   Salam, A ^b  

^a UNIVERSITY OF TORONTO   (Canada)

^b WAKE FOREST UNIVERSITY   (United States)

^c ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON MATRIX; HYDROXYCYCLOPROPENONE; KETO-ENOL EQUILIBRIA; POLARIZABLE CONTINUUM MODELS (PCM);

ARGON; CHEMICAL BONDS; CONFORMATIONS; GIBBS FREE ENERGY; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; SOLUTIONS;

KETONES;

EID: 19944403201     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp040513i     Document Type: Article

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