Ab initio calculations and display of enantiomeric and nonenantiomeric anisotropic circular dichroism: The lowest π → π* excitation in butadiene, cyclohexadiene, and methyl-substituted cyclohexadienes

Journal of Physical Chemistry A

Volumn 104, Issue 48, 2000, Pages 11362-11370

  Hansen, Aage E ^a   Bak, Keld L ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNI C   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CHROMOPHORES; GROUND STATE; MOLECULAR STRUCTURE; MOLECULES;

ALLYLIC METHYL GROUPS; ANISOTROPIC ELECTRONIC CIRCULAR DICHROISM; CHIRAL MOLECULES; RANDOM PHASE APPROXIMATION; ROTARY STRENGTH TENSOR;

OLEFINS;

EID: 0034503849     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001899+     Document Type: Article

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