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Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes.
Plasser, Felix; Mai, Sebastian; Fumanal, Maria; Gindensperger, Etienne; Daniel, Chantal; González, Leticia.
Affiliation
  • Plasser F; Institute for Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währingerstr. 17 , 1090 Vienna , Austria.
  • Mai S; Department of Chemistry , Loughborough University , Loughborough , LE11 3TU , U.K.
  • Fumanal M; Institute for Theoretical Chemistry, Faculty of Chemistry , University of Vienna , Währingerstr. 17 , 1090 Vienna , Austria.
  • Gindensperger E; Laboratoire de Chimie Quantique, Institut de Chimie Strasbourg , UMR7177 CNRS/Université de Strasbourg 4 Rue Blaise Pascal BP296/R8 , F-67008 Strasbourg , France.
  • Daniel C; Laboratoire de Chimie Quantique, Institut de Chimie Strasbourg , UMR7177 CNRS/Université de Strasbourg 4 Rue Blaise Pascal BP296/R8 , F-67008 Strasbourg , France.
  • González L; Laboratoire de Chimie Quantique, Institut de Chimie Strasbourg , UMR7177 CNRS/Université de Strasbourg 4 Rue Blaise Pascal BP296/R8 , F-67008 Strasbourg , France.
J Chem Theory Comput ; 15(9): 5031-5045, 2019 Sep 10.
Article in En | MEDLINE | ID: mdl-31339716
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2019 Document type: Article Affiliation country: Austria Country of publication: United States
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Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2019 Document type: Article Affiliation country: Austria Country of publication: United States