Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base

Theoretical Chemistry Accounts

Volumn 123, Issue 1-2, 2009, Pages 145-156

  Keal, Thomas W ^a,b   Wanko, Marius ^c   Thiel, Walter ^a,b  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b DARESBURY LABORATORY   (United Kingdom)

^c UNIVERSITY OF BREMEN   (Germany)

Author keywords

Conical intersections; Minimum energy paths; Pentadieniminium cation; Retinal models; Semiempirical methods; Surface hopping dynamics

Indexed keywords

EID: 67349255251     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0546-8     Document Type: Article

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