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A surface hopping algorithm for nonadiabatic minimum energy path calculations

Igor Schapiro1, Daniel Roca-Sanjuán, Roland Lindh

  • 1Department of Chemistry, Bowling Green State University, Bowling Green, Ohio, 43403.

Journal of Computational Chemistry
|January 8, 2015
PubMed

Keywords:
CASSCFasulamdioxetaneminimum energy pathretinalsurface hopping algorithmthymine

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