A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH− + D2 → HOD + D−-Reference-Cited by-同舟云学术

A global ab initio potential energy surface and dynamics of the proton-transfer reaction: OH− + D2 → HOD + D−

Author:

Li Lulu¹²³⁴⁵,Fu Bina⁵⁶⁷⁸⁴^ORCID,Yang Xueming¹²³⁴⁵^ORCID,Zhang Dong H.¹²³⁴⁵

Affiliation:

1. Department of Chemical Physics

2. University of Science and Technology of China

3. Hefei 230026

4. China

5. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry

6. Dalian Institute of Chemical Physics

7. Chinese Academy of Sciences

8. Dalian 116023

Abstract

The reaction mechanisms of OH⁻ + D₂ → HOD + D⁻ were first revealed by theory, based on an accurate full-dimensional PES.

Funder

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference65 articles.

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