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Nonadiabatic scattering of NO off Au3 clusters : a simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions
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Robertson, Christopher, González-Vázquez, Jesús, Corral, Ines, Díaz-Tendero, Sergio and Díaz, Cristina (2019) Nonadiabatic scattering of NO off Au3 clusters : a simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions. Journal of Computational Chemistry, 40 (6). pp. 794-810. doi:10.1002/jcc.25764 ISSN 0192-8651.
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Official URL: http://dx.doi.org/10.1002/jcc.25764
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Journal or Publication Title: | Journal of Computational Chemistry | ||||
Publisher: | John Wiley & Sons, Inc. | ||||
ISSN: | 0192-8651 | ||||
Official Date: | 5 March 2019 | ||||
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Volume: | 40 | ||||
Number: | 6 | ||||
Page Range: | pp. 794-810 | ||||
DOI: | 10.1002/jcc.25764 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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