Racemization barriers of 1,1′-binaphthyl and 1,1′-binaphthalene-2,2′-diol: A DFT study

Journal of Organic Chemistry

Volumn 68, Issue 14, 2003, Pages 5677-5680

  Meca, Luděk ^a   Reha, David ^b,c   Havlas, Zdeneḱ ^c  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

GIBBS FREE ENERGY; GROUND STATE; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

RACEMIZATION;

AROMATIC HYDROCARBONS;

1,1' BINAPHTHYL DERIVATIVE; 2,2' DIHYDROXY 1,1' BINAPHTHYL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENANTIOMER; ENERGY; GEOMETRY; STRUCTURE ANALYSIS; THEORY;

EID: 0037999818     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo034344u     Document Type: Article

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