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Nonadiabatic Reactive Quenching of OH( A 2 Σ + ) by H 2 : Origin of High Vibrational Excitation in the H 2 O Product

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
 [1];  [2];  [3];  [4];  [5];  [4];  [1]
  1. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States
  2. Department of Chemistry, Southern University of Science and Technology, Shenzhen, 518055, China
  3. Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milano, Italy
  4. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States
  5. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States
+ Show Author Affiliations

Not provided.

Research Organization:
Univ. of New Mexico, Albuquerque, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0015997
OSTI ID:
1977973
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 126, Issue 39; ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2 Σ + state of OH by molecular hydrogen journal September 2019
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