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Title: From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H 2 O ↔ HX + OH [X = F, Cl, and O( 3 P)] Reactions

Authors:
 [1] ;  [2] ;  [2] ;  [3] ;  [2] ;  [4] ;  [2]
  1. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States, School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China
  2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States
  3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, China
  4. Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, United States
Publication Date:
Grant/Contract Number:
FG02-05ER15694; SC0010616
Type:
Published Article
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 119; Journal Issue: 20; Related Information: CHORUS Timestamp: 2017-11-27 16:58:50; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1179584