Time-Dependent Wave Packet Quantum and Quasi-Classical Trajectory Study of He + H2+, D2+ → HeH+ + H, HeD+ + D Reaction on an Accurate FCI Potential Energy Surface-Reference-Cited by-同舟云学术

Time-Dependent Wave Packet Quantum and Quasi-Classical Trajectory Study of He + H2+, D2+ → HeH+ + H, HeD+ + D Reaction on an Accurate FCI Potential Energy Surface

Published:2012-03-05 Issue:10 Volume:116 Page:2388-2393
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Zhao Juan¹²,Luo Yi¹

Affiliation:

1. State Key Laboratory of Fine Chemicals, School of Pharmaceutical Science and Technology, Dalian University of Technology, Dalian 116024, China

2. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2121998

Reference58 articles.

1. Nonempirical LCAO–MO–SCF Study of the Energy Surface for Linear HeH2+

2. Trajectory calculations for the reaction H2+ + He → H + HeH+

3. Collinear quantum mechanical calculations of the He + H+2 proton transfer reactions

4. Collinear quantum mechanical calculations for the reaction: He + H2+ → HeH+ + H

5. Ion-molecule reactions in H2/rare-gas systems by ion cyclotron resonance I. Reactions with He and Ne

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