Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
- 作者Pulay, Peter; Fogarasi, Geza; Pang, Frank; Boggs, James E.
- 卷第101卷
- 期第10期
- 印刷ISSN0002-7863
- 电子ISSN1520-5126
- 文件大小1323.64KB
- 发表时间1979
- DOI10.1021/ja00504a009
- 页码2550-2560
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