skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on October 10, 2018

Title: Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH 2 CN transition state: Disagreement with experiment

Authors:
 [1] ; ORCiD logo [1] ;  [2] ;  [1] ;  [1] ; ORCiD logo [3] ;  [4] ;  [5] ; ORCiD logo [1]
  1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA
  2. Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA
  3. Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA and Computation Institute, University of Chicago, Chicago, Illinois 60637, USA
  4. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061, USA, School of Pharmaceutical Science and Technology, Tianjin University, Tianjin 300072, People’s Republic of China, Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria
  5. Institute for Soil Research University of Natural Resources and Life Sciences Vienna, Peter-Jordan-Strasse 82, A-1190 Vienna, Austria
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 147; Journal Issue: 14; Related Information: CHORUS Timestamp: 2018-02-14 13:47:14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1398823