Boryl substitution of acetaldehyde makes it an enol: Inconsistency between Gn/CBS and Ab initio/DFT data

Journal of Physical Chemistry A

Volumn 114, Issue 10, 2010, Pages 3698-3702

  Balabin, Roman M ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BORON ATOM; BORON-CONTAINING; C-C DOUBLE BONDS; CBS-QB3; CCSD; COMPLEX ENERGY; COMPUTATION METHODS; ELECTRON DENSITIES; FOCAL POINTS; HYDROGEN SHIFTS; INTRAMOLECULAR HYDROGEN BOND; MEDICINAL CHEMISTRY; ORGANIC CHEMISTRY; PHARMOCOLOGY; RELATIVE ENERGIES;

BIOCHEMISTRY; BORON; BORON COMPOUNDS; CONTEXT SENSITIVE GRAMMARS; ELECTRIC CIRCUIT BREAKERS; HYDROGEN; HYDROGEN BONDS; KETONES; MOLECULAR BIOLOGY; QUANTUM CHEMISTRY; STEREOCHEMISTRY;

ALDEHYDES;

ACETALDEHYDE; ALKENE; BORON;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ISOMERISM; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

ACETALDEHYDE; ALKENES; BORON; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

EID: 77949462328     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp911802v     Document Type: Article

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