Three-dimensional quasiclassical trajectory study of the reaction He+H+2→HeH++H on an accurate ab initio potential-energy surface

Joseph, Tomi ; Sathyamurthy, N. (1984) Three-dimensional quasiclassical trajectory study of the reaction He+H+2→HeH++H on an accurate ab initio potential-energy surface Journal of Chemical Physics, 80 (10). pp. 5332-5333. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v80/i10/p5332...

Related URL: http://dx.doi.org/10.1063/1.446562

Abstract

State-selected integral cross sections computed via the three-dimensional quasiclassical trajectory method using an accurate ab initio potential-energy surface are compared with the classic photoionization experimental results for different vibrational states and relative translational energies of the reactants for the reaction He+H+2→HeH++H. The agreement between theory and experiment is nearly quantitative.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics..
Keywords:Helium; Hydrogen Ions 2 Plus; Integral Cross Sections; Three-Dimensional Calculations; Vibrational States; Potential Energy; Helium Hydrides; Chemical Reactions
ID Code:43928
Deposited On:17 Jun 2011 13:28
Last Modified:17 Jun 2011 13:28

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