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Title: A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH 4 system

Authors:
 [1]; ORCiD logo [2];  [2];  [3];  [2];  [4]
+ Show Author Affiliations
  1. School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China, Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
  2. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
  3. Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China
  4. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1228313
Grant/Contract Number:  
FG02-05ER15694
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 142 Journal Issue: 20; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Li, Jun, Chen, Jun, Zhao, Zhiqiang, Xie, Daiqian, Zhang, Dong H., and Guo, Hua. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH 4 system. United States: N. p., 2015. Web. doi:10.1063/1.4921412.
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Li, Jun, Chen, Jun, Zhao, Zhiqiang, Xie, Daiqian, Zhang, Dong H., & Guo, Hua. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH 4 system. United States. https://doi.org/10.1063/1.4921412
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Li, Jun, Chen, Jun, Zhao, Zhiqiang, Xie, Daiqian, Zhang, Dong H., and Guo, Hua. Thu . "A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH 4 system". United States. https://doi.org/10.1063/1.4921412.
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@article{osti_1228313,
title = {A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH 4 system},
author = {Li, Jun and Chen, Jun and Zhao, Zhiqiang and Xie, Daiqian and Zhang, Dong H. and Guo, Hua},
abstractNote = {},
doi = {10.1063/1.4921412},
journal = {Journal of Chemical Physics},
number = 20,
volume = 142,
place = {United States},
year = {Thu May 28 00:00:00 EDT 2015},
month = {Thu May 28 00:00:00 EDT 2015}
}
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https://doi.org/10.1063/1.4921412
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