Quasiclassical Trajectory Study of the Environmental Reaction O + HO_2 → OH + O_2

W. Wang; R. Gonzalez-Jonte; A. J. C. Varandas

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Quasiclassical Trajectory Study of the Environmental Reaction O + HO_2 → OH + O_2

机译：O + HO_2→OH + O_2环境反应的准经典轨迹研究

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We report a detailed dynamics and kinetics study of the title reaction over the range of translational energies 0.418 ≤ E_(tr)/kJ mol~(-1) ≤ 62.760 by employing the quasiclassical trajectory method and a recently reported double many-body expansion potential energy surface for ground-state HO_3. A comparison of the calculated thermal rate constants with the available experimental results is also presented.

机译：我们采用准经典轨迹法和最近报道的双多体膨胀势，报道了在平移能0.418≤E_（tr）/ kJ mol〜（-1）≤62.760范围内标题反应的详细动力学和动力学研究基态HO_3的能量表面。还介绍了计算的热速率常数与可用的实验结果的比较。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1998年第35期|共7页
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W. Wang; R. Gonzalez-Jonte; A. J. C. Varandas;
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中图分类物理化学（理论化学）、化学物理学;
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1. Quasiclassical Trajectory Study of the Environmental Reaction O + HO_2 → OH + O_2 [J] . W. Wang, R. Gonzalez-Jonte, A. J. C. Varandas The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第35期

机译：O + HO_2→OH + O_2环境反应的准经典轨迹研究
2. A quasiclassical trajectory study for the N(~4S)+O_2(X~3SIGMA_G~-- NO(X~2PI)+O(~3P)reaction on the new ~2A and ~4A' potential-energy surfaces [J] . Jianfeng He, Feng Chen, Jing Li The Journal of Chemical Physics . 2006,第5期

机译：新的〜2A和〜4A'势能面上N（〜4S）+ O_2（X〜3SIGMA_G〜-> NO（X〜2PI）+ O（〜3P）反应的准经典轨迹研究
3. Quasiclassical Trajectory Study of the Environmental Reaction O + HO↓(2) → OH + O↓(2) [J] . W. Wang, R. González-Jonte, A. J. C. Varandas The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第33a36期

机译：O + HO↓（2）→OH + O↓（2）的环境反应的准经典轨迹研究
4. Dynamics of Alkali Ions-Neutral Molecules Reactions: Radio Frequency-Guided Beam Experimental Cross-Sections and Direct Quasiclassical Trajectory Studies [C] . J. Aguilar, J. de Andres, J.M. Lucas, International Symposium on Rarefied Gas Dynamics . 2012

机译：碱离子中性分子反应的动态：射频引导梁实验横截面和直接拟拟拟卡斯特轨迹研究
5. Quasiclassical trajectory study of D+HH and H+HD. [D] . McNamara, Glen J. 2011

机译：D + HH和H + HD的准经典轨迹研究。
6. Quasiclassical trajectory study of H+SiH4 reactions in full-dimensionality reveals atomic-level mechanisms [O] . Jianwei Cao, Zhijun Zhang, Chunfang Zhang, 2009

机译：H + SiH4反应的全尺度准经典轨迹研究揭示了原子级机理
7. Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 [O] . Wang W., González-Jonte R., Varandas A. J. C. 1998

机译：O + HO2→OH + O2反应的准经典轨迹研究
8. Quasiclassical Trajectory Studies of H(D)+HBr(DBr) Abstraction and Exchange Reactions [R] . Sudhakaran, M. P., Raff, L. M. 1985

机译：H（D）+ HBr（DBr）抽象和交换反应的准经典轨迹研究

Quasiclassical Trajectory Study of the Environmental Reaction O + HO_2 → OH + O_2

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