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  Implementation of surface hopping molecular dynamics using semiempirical methods

Fabiano, E., Keal, T. W., & Thiel, W. (2008). Implementation of surface hopping molecular dynamics using semiempirical methods. Chemical Physics, 349, 334-347. doi:10.1016/j.chemphys.2008.01.044.

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 Creators:
Fabiano, E.1, Author              
Keal, T. W.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: surface hopping; molecular dynamics; potential-energy surfaces; conical intersections; nonadiabatic coupling terms; semiempirical methods
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Language(s): eng - English
 Dates: 2008
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 407028
DOI: 10.1016/j.chemphys.2008.01.044
ISI: 000257538300039
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Title: Chemical Physics
  Alternative Title : Chem. Phys.
Source Genre: Journal
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Pages: - Volume / Issue: 349 Sequence Number: - Start / End Page: 334 - 347 Identifier: ISSN: 0301-0104