O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level-Reference-Cited by-同舟云学术

O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level

Published:2009-10-13 Issue:45 Volume:113 Page:12663-12674
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

West Aaron C.¹,Kretchmer Joshua S.¹,Sellner Bernhard¹,Park Kyoyeon¹,Hase William L.¹,Lischka Hans¹,Windus Theresa L.¹

Affiliation:

1. Department of Chemistry, Iowa State University, Ames, Iowa 50011, Department of Chemistry, University of California at Berkeley, Berkeley, California 94720, Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, A-1090 Vienna, Austria, Department of Chemistry and Biochemistry, Texas Tech University, Memorial Circle & Boston, Lubbock, Texas 79409-1061, and Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, CZ-16610...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp905070z

Reference38 articles.

1. Combustion Chemistry

2. Dynamics of the O(3P) + C2H4 Reaction: Identification of Five Primary Product Channels (Vinoxy, Acetyl, Methyl, Methylene, and Ketene) and Branching Ratios by the Crossed Molecular Beam Technique with Soft Electron Ionization

3. The Reactions of O(3P) with Terminal Alkenes: The H2CO Channel via 3,2 H-Atom Shift

4. Dynamics of the reaction of atomic oxygen with ethene: Observation of all carbon-containing products by single-photon ionization

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

Cited by 23 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Investigation of Potential Energy Surfaces of Reaction Systems Containing Ethylene, Hydrogen, and Oxygen Atoms by Quantum Chemical Calculations;Russian Journal of Physical Chemistry B;2023-04

2. Исследование поверхности потенциальной энергии реакционных систем H + O + C<sub>2</sub>H<sub>4</sub>;Химическая физика;2023-04-01

3. The reaction of O(3P) with alkynes: a dynamic and computational study focusing on formyl radical production;Physical Chemistry Chemical Physics;2020

4. Interaction of CH4 with Electronically Excited O2: Ab Initio Potential Energy Surfaces and Reaction Kinetics;Plasma Chemistry and Plasma Processing;2019-07-31

5. Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections;The Journal of Physical Chemistry A;2019-01-15