Microdynamics study on reaction of atom H and radial NH(X~3Σ)

Xu Lijin; Yan Jinmin; Kong Fanao

首页> 外文期刊>Chinese science bulletin >Microdynamics study on reaction of atom H and radial NH(X~3Σ)

【24h】

Microdynamics study on reaction of atom H and radial NH(X~3Σ)

机译：H原子与径向NH（X〜3Σ）反应的微观动力学研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The dynamics of the H + NH→N + H_2 reaction has been investigated by means of the 3-atom model quasiclassical trajectory approach. The LEPS potential energy surface is employed in the study, which is obtained from the ab initio results and has an early saddle point in the min- imum energy path. The results indicate that the reaction product H_2 is mainly scatttered backward, and the reaction is found to occur via a direct channel.

机译：通过3-原子模型准经典轨迹方法研究了H + NH→N + H_2反应的动力学。本研究采用LEPS势能面，它是从头算得到的结果，在最小能量路径中具有较早的鞍点。结果表明，反应产物H_2主要向后散射，发现反应是通过直接通道发生的。

著录项

来源
《Chinese science bulletin》 |1999年第11期|p.1000-1003|共4页
作者
Xu Lijin; Yan Jinmin; Kong Fanao;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类自然科学现状及发展;
关键词
microdynamics of reaction; quasiclassical trajectory calculation; LEPS potential energy surface;

机译：反应的微观动力学准经典轨迹计算;LEPS势能面;

相似文献

外文文献
中文文献
专利

1. Reactions of photogenerated fluorine atoms with molecules trapped in solid argon 3.~* Formation of stabilized .NH_2 radicals and .NH_2-HF radical-molecule complexes in the reactions of fluorine atoms with NH_3 molecules [J] . E.Ya.Misochko, I.U.Goldeshleger, A.V.Akimov Russian Chemical Bulletin . 2000,第5期

机译：光生氟原子与固体氩中捕获的分子的反应3.〜*在氟原子与NH_3分子反应中形成稳定的.NH_2自由基和.NH_2-HF自由基-分子配合物
2. Experimental and theoretical studies of gas-phase reactions of SiF_x~+ (x = 1-3) with ammonia: intramolecular H-atom transfer reactions with SiF_3~+ and F_2Si(NH_2)~+ [J] . A. E. Ketvirtis, V. I. Baranov, Y. Ling, International journal of mass spectrometry . 1999,第0期

机译：SiF_x〜+（x = 1-3）与氨的气相反应的实验和理论研究：SiF_3〜+和F_2Si（NH_2）〜+的分子内H原子转移反应
3. Ab initio study on reaction path and rate constant of the hydrogen atom abstraction reaction HNCO + N -> NCO + NH [J] . Zhen-Feng Xu, Chia-Chung Sun Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 1999,第1a3期

机译：从头开始研究氢原子提取反应HNCO + N-> NCO + NH的反应路径和速率常数
4. Shock-tube studies on the reactions of 2H-heptafluoropropane with H and O(~3P) atoms and the subsequent reactions [C] . O. Yamamoto, K. Takahashi, T. Inomata International Symposium on Shock Waves; 20040711-16; Beijing(CN) . 2004

机译：2H-七氟丙烷与H和O（〜3P）原子反应的激波管研究及后续反应
5. Preparation and Characterization of Surfaces of Graphene and Graphite and Study of Reactions of SO2 and NH3 with the Epoxy Groups on the Surface of Graphite Oxide Powder [D] . Xie, Wenjing. 2018

机译：石墨烯表面的制备与表征石墨和石墨表面的研究与石墨氧化物粉表面的环氧基团
6. The Third Dimension of a More O’Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)2H• with X = O NH and CH2 [O] . Alessandro Cembran, Makenzie R. Provorse, Changwei Wang, -1

机译：一个更OFerrall-詹克斯图的第三个方面为在等电子氢氢原子转移（pHX）2H•其中X = ONH和CH 2的交换反应
7. Following the Molecular Mechanism for the NH3 + LiH → LiNH2 + H2 Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index [O] . Andrés Juan, Berski Slawomir, Contreras García Julia, 2014

机译：遵循NH3 + LiH→LiNH2 + H2化学反应的分子机制：基于分子中原子量子理论（QTaIm）和非共价相互作用（NCI）指数联合使用的研究

Microdynamics study on reaction of atom H and radial NH(X~3Σ)

摘要

著录项

相似文献

相关主题

期刊订阅