Stereodynamics study of O+ +H2 reaction and its isotopic variants | Zendy

Xinguo Liu | Zendy; Sun Hai-Zhu | Zendy; Huirong Liu | Zendy; Zhang Qing-Gang | Zendy

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Stereodynamics study of O+ +H2 reaction and its isotopic variants

Author(s) -

Xinguo Liu,

Sun Hai-Zhu,

Huirong Liu,

Zhang Qing-Gang

Publication year - 2010

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.59.7796

Subject(s) - diatomic molecule , molecule , atomic physics , physics , polarization (electrochemistry) , kinetic isotope effect , potential energy surface , chemistry , deuterium , quantum mechanics

The stereodynamics in the chemical reaction O+ +H2and its isotopic variants at a collision energy of 20 kcal /mol are investigated by using the quasi-classical trajectory (QCT) method on RODRIGO surface. The correlated k- j', k-k'-j' angular distributions, polarization-dependent differential cross sections (PDDCSs) and the product rotational alignment are discussed in detail. The calculations indicate that the stereodynamic properties of the reactions of O+ +H2→OH+ +H、O+ +DH→OD+ +H and O+ +TH→OT++H are sensitive to the mass factor and the repulsive energy of diatomic molecule.

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