A SURFACE HOPPING STUDY OF ENERGY TRANSFER IN NA+CD-ASTERISK COLLISIONS

Angeli C.; Persico M.; Granucci G.

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A SURFACE HOPPING STUDY OF ENERGY TRANSFER IN NA+CD-ASTERISK COLLISIONS

机译：NA + CD-ASTERISK碰撞中能量转移的表面跳跃研究

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We have computed the cross sections for energy transfer and intramultiplet mixing in collisions between excited Cd and ground state Na atoms. Classical trajectories with surface hopping have been run on ab initio potentials, taking into account nonadiabatic and spin-orbit couplings. The theoretically determined cross sections contribute to identify the source of excited sodium atoms in heat pipe oven experiments with laser excitation of cadmium. The short lifetime of the collision complex leads to the conclusion that the three-body process Na + Cd* + M --> NaCd* + M has a negligible role in the excimer production. [References: 16]

机译：我们已经计算了激发的Cd和基态Na原子之间碰撞时的能量转移和多重内混合的横截面。考虑到非绝热和自旋轨道耦合，具有表面跳跃的经典轨迹已从头算起。从理论上确定的横截面有助于确定在热管烤箱实验中用镉激光激发的钠原子的来源。碰撞复合物的短寿命导致得出这样的结论：三体过程Na + Cd * + M-> NaCd * + M在准分子生产中的作用微不足道。 [参考：16]

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《Chemical Physics Letters》 |1996年第3期|共6页
作者
Angeli C.; Persico M.; Granucci G.;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词
Laser-induced chemiluminescence; Nahg excimers; Nacd; States;

机译：激光诱导化学发光;Nahg准分子;Nacd;状态;

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专利

1. A SURFACE HOPPING STUDY OF ENERGY TRANSFER IN NA+CD-ASTERISK COLLISIONS [J] . Angeli C., Persico M., Granucci G. Chemical Physics Letters . 1996,第1a3期

机译：NA + CD-ASTERISK碰撞中能量转移的表面跳跃研究
2. Trajectory surface hopping study of the O(~3P) + C_2H_2 reaction dynamics: Effect of collision energy on the extent of intersystem crossing [J] . Karunamoy Rajak, Biswajit Maiti The Journal of Chemical Physics . 2014,第4期

机译：O（〜3P）+ C_2H_2反应动力学的弹道表面跳变研究：碰撞能量对系统间交叉程度的影响
3. Trajectory surface hopping study of the O(~3P) + C_2H_2 reaction dynamics: Effect of collision energy on the extent of intersystem crossing [J] . Karunamoy Rajak, Biswajit Maiti The Journal of Chemical Physics . 2014,第4期

机译：O（〜3P）+ C_2H_2反应动力学的弹道表面跳变研究：碰撞能量对系统间交叉程度的影响
4. QUANTUM MOLECULAR DYNAMICS STUDY ON ENERGY TRANSFER TO THE SECONDARY ELECTRON IN SURFACE COLLISION PROCESS OF AN ION [C] . Masahiko Shibahara, Shin-ichi Satake, Jun Taniguchi ASME(American Society of Mechanical Engineers)/JSME(Japanese Society of Mechanical Engineers) Thermal Engineering Summer Heat Transfer Conference 2007 . 2007

机译：离子在表面碰撞过程中向二次电子的能量转移的量子分子动力学研究
5. Comptational and theoretical study of energy transfer and chemical reaction in collisions of rare gas and oxygen atoms with hydrocarbon molecules and surfaces. [D] . Yan, Tianying. 2003

机译：稀有气体和氧原子与烃分子和表面碰撞时的能量转移和化学反应的计算和理论研究。
6. Fluorescence resonance energy transfers measurements on cell surfaces via fluorescence polarization. [O] . Meir Cohen-Kashi, Sergey Moshkov, Naomi Zurgil, 2002

机译：荧光共振能量通过荧光偏振在细胞表面转移测量结果。
7. The importance of accurate adiabatic interaction potentials for the correct description of electronically nonadiabatic vibrational energy transfer: A combined experimental and theoretical study of NO(v=3) collisions with a Au(111) surface. [O] . Golibrzuch, K., Shirhatti, P., Rahinov, I., 2014

机译：精确绝热相互作用势对于电子非绝热振动能量转移的正确描述的重要性：NO（v = 3）与au（111）表面碰撞的组合实验和理论研究。
8. Precision Studies of Gas-Surface Collisional Energy Transfer at Complex Interfaces [R] . Sibener, S. J. 2009

机译：复杂界面气体表面碰撞能量传递的精密研究

A SURFACE HOPPING STUDY OF ENERGY TRANSFER IN NA+CD-ASTERISK COLLISIONS

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