Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite
- 期刊名称The Journal of Chemical Physics
- 作者Pascal, Tod A.; Karasawa, Naoki; Goddard, William A.
- 卷第133卷
- 期第13期
- 印刷ISSN0021-9606
- 文件大小1923.39KB
- 发表时间2010
- DOI10.1063/1.3456543
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