The ONIOM (our own N-layered integrated molecular orbital + molecular mechanics) method for the first singlet excited (S1) state photoisomerization path of a retinal protonated Schiff base

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 2969-2975

  Vreven, Thom ^a   Morokuma, Keiji ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHEMICAL BONDS; CHROMOPHORES; COMPUTATIONAL METHODS; ELECTRONS; GROUND STATE; ISOMERIZATION; METHANOL; OLEFINS; POTENTIAL ENERGY; REACTION KINETICS;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD; MOLECULAR ORBITAL; PHOTOISOMERIZATION PATHWAYS; RETINAL PROTONATED SCHIFF BASE; SINGLET GROUND STATE;

MOLECULAR PHYSICS;

EID: 0034702677     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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