Origin of the stereoselectivity of the intramolecular 1,2-hydrogen shift in singlet chlorocarbenes. A theoretical study

Journal of Physical Chemistry A

Volumn 101, Issue 13, 1997, Pages 2509-2513

  Shustov, Gennadii V ^a   Liu, Michael T H ^a   Rauk, Arvi ^b  

^a UNIVERSITY OF PRINCE EDWARD ISLAND   (Canada)

^b UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CONFORMATIONS; ELECTRON ENERGY LEVELS; HYDROGEN; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; THERMODYNAMICS;

CHLOROCARBENES; CURTIN HAMMETT PRINCIPLE; DENSITY FUNCTIONAL THEORY (DFT); STEREOCHEMISTRY; STEREOSELECTIVITY;

OLEFINS;

EID: 0031102508     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963730v     Document Type: Article

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