State-to-State Rate Constant Calculations for V-V Energy Transfer in CO-N_2 Collisions

A. Kurnosov; M. Cacciatore; G. D. Billing

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State-to-State Rate Constant Calculations for V-V Energy Transfer in CO-N_2 Collisions

机译：CO-N_2碰撞中V-V能量转移的状态间速率常数计算

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Single and multiquantum vibrational relaxation of low and highly vibrationally excited levels of CO in collisions with N_2 is studied within the semiclassical coupled state method. The dynamics is followed using ab initio interaction potential for the short-range interaction and updated multipole expansions for the long range interaction. Compared to the previous study, a better agreement with the available experimental rate constants is obtained, particularly in the critical low temperature regime down to T = 80 K. Remarkable corrections are found for rate constants for single and multiquantum transitions between highly excited CO and N_2 molecules.

机译：在半经典耦合状态方法中研究了低和高振动激发水平的CO与N_2碰撞时的单量子振动和多量子振动弛豫。动力学是通过使用从头算起的交互作用潜力进行短程相互作用，并使用更新的多极展开进行的，以进行长程相互作用。与以前的研究相比，获得了与可用的实验速率常数更好的一致性，特别是在低至T = 80 K的临界低温条件下。对于高激发CO和N_2之间的单量子和多量子跃迁的速率常数，发现了明显的校正。分子。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2003年第14期|共8页
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A. Kurnosov; M. Cacciatore; G. D. Billing;
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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;
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1. State-to-State Rate Constant Calculations for V-V Energy Transfer in CO-N_2 Collisions [J] . A. Kurnosov, M. Cacciatore, G. D. Billing The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2003,第14期

机译：CO-N_2碰撞中V-V能量转移的状态间速率常数计算
2. State-to-state rate constants for collision induced energy transfer of electronically excited NH_2 with NH_3 [J] . Jorg Lindner, Ralf Wilhelm The Journal of Chemical Physics . 2002,第10期

机译：电子激发的NH_2与NH_3碰撞诱导的能量转移的状态速率常数
3. State-to-State Quantum Reactive Scattering Calculations and Rate Constant for Nitrogen Atoms in Collision with NO Radicals at Low Temperatures [J] . M. Jorfi, P. Honvault The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2009,第40期

机译：氮原子在低温下与氮原子碰撞时的状态间量子反应性散射计算和速率常数
4. Calculations of V-V Transfer Rates in H_2 and Comparison with Experiment [C] . J. D. Kelley AIAA Plasmadynamics and Lasers Conference . 2008

机译：H_2中V-V传输速率的计算及实验比较
5. Development of MQCT Method for Calculations of Collisional Energy Transfer for Astrochemistry and Planetary Atmospheres [D] . Mandal, Bikramaditya. 2021

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6. Additional correction for energy transfer efficiency calculation in filter-based Förster resonance energy transfer microscopy for more accurate results [O] . Yuansheng Sun, Ammasi Periasamy 2010

机译：在基于滤波器的Förster共振能量转移显微镜中对能量转移效率计算进行了其他校正以获得更准确的结果
7. State-to-state rate constants for collision induced energy transfer of electronically excited NH2 with NH3 [O] . Jörg Lindner, Ralf Wilhelm 2002

机译：用于碰撞的状态速率常数诱导电子兴奋NH2的能量转移NH3
8. Study of Vibrational Energy Exchange and Determination of V-V Exchange Rate Constants on High Levels of the CO Molecule [R] . Ionin, A. , Sinitsyn, D. , Seleznev, L. , 1999

机译：高水平CO分子振动能量交换及V-V交换速率常数测定的研究

State-to-State Rate Constant Calculations for V-V Energy Transfer in CO-N_2 Collisions

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