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

doi:10.1088/1674-1056/20/7/078201

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)

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

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