Excited states of conjugated hydrocarbons using the molecular mechanics - Valence bond (MMVB) method: Conical intersections and dynamics

Theoretical Chemistry Accounts

Volumn 116, Issue 4-5, 2006, Pages 670-682

  Bearpark, Michael J ^a   Boggio Pasqua, Martial ^a   Robb, Michael A ^a   Ogliaro, François ^b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b NANCY UNIVERSITÉ   (France)

Author keywords

Conjugated hydrocarbons; Excited state calculations; Heisenberg Hamiltonian; QM MM; Valence bond theory

Indexed keywords

EID: 33747843903     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0113-5     Document Type: Article

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