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Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.
Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L.
Afiliação
  • Pratihar S; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
  • Ma X; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
  • Xie J; Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA.
  • Scott R; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
  • Gao E; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
  • Ruscic B; Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA.
  • Aquino AJA; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
  • Setser DW; Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria.
  • Hase WL; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA.
J Chem Phys ; 147(14): 144301, 2017 Oct 14.
Article em En | MEDLINE | ID: mdl-29031273
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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Ano de publicação: 2017 Tipo de documento: Article
Texto completo
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XML
PubMed Links
Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Ano de publicação: 2017 Tipo de documento: Article