Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion-Reference-Cited by-同舟云学术

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Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion

Published:2021-12-07 Issue:21 Volume:155 Page:214104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Penrod Katheryn A.¹^ORCID,Burgess Maximiliano Aldo²,Akbarian Dooman³^ORCID,Dabo Ismaila²^ORCID,Woodward W. H. Hunter⁴^ORCID,van Duin Adri C. T.³^ORCID

Affiliation:

1. Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

2. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

3. Department of Mechanical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

4. Analytical Science, The Dow Chemical Company, Midland, Michigan 48667, USA

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/am-pdf/10.1063/5.0064705

Reference47 articles.

1. Review of high voltage direct current cables

2. Handbook of Industrial Polyethylene and Technology

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. eReaxFF force field development for BaZr0.8Y0.2O3-δ solid oxide electrolysis cells applications;npj Computational Materials;2024-06-28

2. Development and Applications of an eReaxFF Force Field for Graphitic Anodes of Lithium-Ion Batteries;Journal of The Electrochemical Society;2022-11-01

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