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Title: State-to-state reaction dynamics of 18 O+ 32 O 2 studied by a time-dependent quantum wavepacket method

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4907229· OSTI ID:1228541
 [1];  [1];  [1];  [2];  [3]
  1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical &, Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China
  2. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
  3. Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA
+ Show Author Affiliations

Sponsoring Organization:
USDOE
Grant/Contract Number:
FG02-05ER15694
OSTI ID:
1228541
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Vol. 142 Journal Issue: 6; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 38 works
Citation information provided by
Web of Science

References (49)

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Nonstatistical Behavior of Reactive Scattering in the 18 O+ 32 O 2 Isotope Exchange Reaction journal March 2007
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State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions journal December 2009
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Bimolecular Recombination Reactions: Low Pressure Rates in Terms of Time-Dependent Survival Probabilities, Total J Phase Space Sampling of Trajectories, and Comparison with RRKM Theory journal May 2011
Communication: Rigorous quantum dynamics of O + O 2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients journal August 2014
The vibrational energies of ozone up to the dissociation threshold: Dynamics calculations on an accurate potential energy surface journal June 2002
Kinetic origin of the ozone isotope effect: a critical analysis of enrichments and rate coefficients journal October 2001
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Quantum reactive scattering with a deep well: Time‐dependent calculation for H+O 2 reaction and bound state characterization for HO 2 journal September 1994
Coriolis coupling as a source of non-RRKM effects in ozone molecule: Lifetime statistics of vibrationally excited ozone molecules journal June 2010
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Uniform J -shifting approach for calculating reaction rate constant journal April 1999
Quantum dynamics of complex-forming bimolecular reactions journal January 2012
Nonseparable transition state theory for nonzero total angular momentum: Implications for J shifting and application to the OH+H2 reaction journal March 1999
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Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations journal May 2009
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