Successful computational modeling of isobornyl chloride ion-pair mechanisms

Journal of Organic Chemistry

Volumn 75, Issue 15, 2010, Pages 5164-5169

  Kong, Jing ^a,b   Schleyer, Paul V R ^b   Rzepa, Henry S ^c  

^a TIANJIN UNIVERSITY   (China)

^b UNIVERSITY OF GEORGIA   (United States)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; CARBOCATIONS; CHLORIDE IONS; COMPUTATIONAL MODELING; CONTINUUM SOLVENTS; EXPLICIT SOLVENTS; FREE-ENERGY CALCULATIONS; GEOMETRIC OPTIMIZATION; HYDRIDE TRANSFERS; ION PAIRS; KINETIC BALANCE; METHYL MIGRATIONS; ORGANIC CHEMISTRY; RACEMIZATION PATHWAY; SOLVENT CAVITY;

FREE ENERGY; IONS; SOLVENTS;

CHLORINE COMPOUNDS;

BORNEOL; CAMPHENE; CHLORIDE; ISOBORNYL; METHYL GROUP; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY; KINETICS; ORGANIC CHEMISTRY; QUANTITATIVE ANALYSIS; RACEMIZATION; WAGNER MEERWEIN REARRANGEMENT;

EID: 77955134925     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo100920e     Document Type: Article

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