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  Comparison of algorithms for conical intersection optimisation using semiempirical methods

Keal, T. W., Koslowski, A., & Thiel, W. (2007). Comparison of algorithms for conical intersection optimisation using semiempirical methods. Theoretical Chemistry Accounts, 118, 837-844. doi:10.1007/s00214-007-0331-5.

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 Creators:
Keal, T. W.1, Author              
Koslowski, A.1, Author              
Thiel, W.1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              

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Free keywords: potential-energy surfaces; conical intersections; optimization; nonadiabatic coupling terms; semiempirical methods
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Language(s): eng - English
 Dates: 2007
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 335900
DOI: 10.1007/s00214-007-0331-5
ISI: 000251012800002
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Title: Theoretical Chemistry Accounts
  Alternative Title : Theor. Chem. Acc.
Source Genre: Journal
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Publ. Info: -
Pages: - Volume / Issue: 118 Sequence Number: - Start / End Page: 837 - 844 Identifier: ISSN: 1432-881X