Quasiclassical Trajectory Analysis of the N2 + N2 Reaction Using a New Ab Initio Potential Energy Surface-Reference-Cited by-同舟云学术

Quasiclassical Trajectory Analysis of the N2 + N2 Reaction Using a New Ab Initio Potential Energy Surface

Published:2014-06-13 Issue: Volume: Page:
ISSN:
Container-title:11th AIAA/ASME Joint Thermophysics and Heat Transfer Conference
language:
Short-container-title:

Author:

Bender Jason D.¹,Nompelis Ioannis¹,Valentini Paolo¹,Doraiswamy Sriram¹,Schwartzentruber Thomas E.¹,Candler Graham V.¹,Paukk Yuliya¹,Yang Ke R.¹,Varga Zoltan¹,Truhlar Donald G.¹

Affiliation:

1. University of Minnesota, Minneapolis

Publisher

American Institute of Aeronautics and Astronautics

Link

http://arc.aiaa.org/doi/pdf/10.2514/6.2014-2964

Reference40 articles.

1. Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

2. Reactive Scattering Cross Sections III: Quasiclassical and Semiclassical Methods

3. Global ab initio ground-state potential energy surface of N4

4. Non-Born—Oppenheimer Molecular Dynamics for Conical Intersections, Avoided Crossings, and Weak Interactions

Cited by 10 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. Kinetic Models of Oxygen Thermochemistry Based on Quasi-Classical Trajectory Analysis;Journal of Thermophysics and Heat Transfer;2018-10

2. Comparison of Potential Energy Surface and Computed Rate Coefficients for N2 Dissociation;Journal of Thermophysics and Heat Transfer;2018-10

3. Dissociation cross section for high energy O2–O2 collisions;The Journal of Chemical Physics;2018-04-14

4. Multitemperature Dissociation Rate of N2+N2→N2+N+N Calculated Using Selective Sampling Quasi-Classical Trajectory Analysis;Journal of Thermophysics and Heat Transfer;2017-10

5. Effect of thermal nonequilibrium on reactions in hydrogen combustion;Shock Waves;2016-03-21