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

Keal, T. W., Wanko, M., & Thiel, W. (2009). Assessment of semiempirical methods for the photoisomerisation of a protonated Schiff base. Theoretical Chemistry Accounts, 123, 145-156. doi:10.1007/s00214-009-0546-8.

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 Creators:
Keal, T. W.1, Author              
Wanko, M.2, Author
Thiel, W.1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2[Keal, Thomas W.] STFC Daresbury Lab, Computat Sci & Engn Dept, Warrington WA4 4AD, Cheshire, England.; [Wanko, Marius] Univ Bremen, Bremen Ctr Computat Mat Sci, D-28334 Bremen, Germany., ou_persistent22              

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Free keywords: Retinal models; Pentadieniminium cation; Conical intersections; Minimum energy paths; Surface-hopping dynamics; Semiempirical methods
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Language(s): eng - English
 Dates: 2009
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 460350
DOI: 10.1007/s00214-009-0546-8
ISI: 000265566100018
 Degree: -

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Title: Theoretical Chemistry Accounts
  Alternative Title : Theor. Chem. Acc.
Source Genre: Journal
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Pages: - Volume / Issue: 123 Sequence Number: - Start / End Page: 145 - 156 Identifier: ISSN: 1432-881X