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Chin. Phys. B, 2011, Vol. 20(7): 078201    DOI: 10.1088/1674-1056/20/7/078201
INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY Prev   Next  

Stereodynamics of the O(3P) with H2 (D2) ($\nu$=0, j=0) reaction

Liu Yu-Fang(刘玉芳), He Xiao-Hu(和小虎), Shi De-Heng(施德恒), and Sun Jin-Feng(孙金锋)
Department of Physics, Henan Normal University, Xinxiang 453007, China
Abstract  Quasi-classical trajectory theory is used to study the reaction of O(3P) with H2 (D2) based on the ground 3A'' potential energy surface (PES). The reaction cross section of the reaction O+H2 → OH+H is in excellent agreement with the previous result. Vector correlations, product rotational alignment parameters 〈P2 (j'·k)〉 and several polarized-dependent differential cross sections are further calculated for the reaction. The product polarization distribution exhibits different characteristics that can be ascribed to different motion paths on the PES, arising from various collision energies or mass factors.
Keywords:  quasi-classical trajectory method      O+H2 reaction      reaction cross section      vector correlation  
Received:  16 October 2010      Revised:  04 December 2010      Accepted manuscript online: 
PACS:  82.20.Bc (State selected dynamics and product distribution)  
  31.15.xv (Molecular dynamics and other numerical methods)  
  34.50.Lf (Chemical reactions)  

Cite this article: 

Liu Yu-Fang(刘玉芳), He Xiao-Hu(和小虎), Shi De-Heng(施德恒), and Sun Jin-Feng(孙金锋) Stereodynamics of the O(3P) with H2 (D2) ($\nu$=0, j=0) reaction 2011 Chin. Phys. B 20 078201

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