Calculated versus measured product distributions of the OH+D2 reaction

Ernesto Garcia, Amaia Saracibar, Aurelio Rodriguez, Antonio Laganà, György Lendvay

Research output: Article

8 Citations (Scopus)

Abstract

Product distributions of the OH+D 2 ?HOD+D reaction, calculated using quasi-classical means, on various potential energy surfaces for the rotational states j D 2 =0, 1, 2, 3 and 4 of the D 2 molecule are compared with those derived from crossed molecular beam experiments with the aim of assessing the validity of the proposed potential energy functionals in describing the reaction channel of the system. Surprisingly, the most accurate surface, while leading to an excellent reproduction of translational and angular product distributions, was found to be unable to reproduce the measured vibrational distribution.

Original languageEnglish
Pages (from-to)839-846
Number of pages8
JournalMolecular Physics
Volume104
Issue number5-7
DOIs
Publication statusPublished - márc. 10 2006

ASJC Scopus subject areas

  • Biophysics
  • Molecular Biology
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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