Partial energy gradient based on the fragment molecular orbital method: Application to geometry optimization
- 作者Takeshi Ishikawa; Norifumi Yamamoto; Kazuo Kuwata
- 卷第500卷
- 印刷ISSN0009-2614
- 文件大小491.04KB
- 发表时间2010
- DOI10.1016/j.cplett.2010.09.071
- 页码149-154
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