A neural network potential energy surface for the F + CH4reaction including multiple channels based on coupled cluster theory-Reference-Cited by-同舟云学术

A neural network potential energy surface for the F + CH4reaction including multiple channels based on coupled cluster theory

Published:2018 Issue:14 Volume:20 Page:9090-9100
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chen Jun¹²³⁴⁵^ORCID,Xu Xin¹²³,Liu Shu¹²³,Zhang Dong H.¹²³^ORCID

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences

2. Dalian 116023

3. China

4. Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University

5. Xiamen 361005

Abstract

We report here a new global and full dimensional potential energy surface (PES) for the F + CH₄reaction.

Funder

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08365C

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