Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy-Reference-Cited by-同舟云学术

Crossed Molecular Beams and Quasiclassical Trajectory Surface Hopping Studies of the Multichannel Nonadiabatic O(3P) + Ethylene Reaction at High Collision Energy

Published:2015-10-06 Issue:50 Volume:119 Page:12498-12511
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Balucani Nadia¹,Leonori Francesca¹,Casavecchia Piergiorgio¹,Fu Bina²,Bowman Joel M.³

Affiliation:

1. Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, 06123 Perugia, Italy

2. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

3. Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States

Funder

U.S. Department of Energy

Chinese Academy of Sciences

Ministero dell'Istruzione, dell'Università e della Ricerca

National Natural Science Foundation of China

European Cooperation in Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b07979

Reference34 articles.

1. Gas-Phase Combustion Chemistry

2. Intersystem crossing and dynamics in O(3P) + C2H4 multichannel reaction: Experiment validates theory

3. Experimental and theoretical studies of the O(3P) + C2H4reaction dynamics: Collision energy dependence of branching ratios and extent of intersystem crossing

4. Potential Energy Surfaces, Product Distributions and Thermal Rate Coefficients of the Reaction of O(3P) with C2H4(XAg): A Comprehensive Theoretical Study

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