Computational thermochemistry: Automated generation of scale factors for vibrational frequencies calculated by electronic structure model chemistries
- 期刊名称Computer Physics Communications
- 作者Yu, Haoyu S.; Fiedler, Lucas J.; Alecu, I.M.; Truhlar, Donald G.
- 印刷ISSN0010-4655
- 文件大小544.30KB
- 发表时间2016-9
- DOI10.1016/j.cpc.2016.09.004
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