Basis set dependence, precision, and accuracy of full ab initio gradient optimizations of molecular structures of nonstrained hydrocarbons. I. CC bond lengths
- 作者Günter Häfelinger; Claus Ulrich Regelmann; Tadeusz Marek Krygowski; Krzysztof Wozniak
- 卷第10卷
- 期第3期
- 印刷ISSN0192-8651
- 电子ISSN1096-987X
- 文件大小1327.13KB
- 发表时间1989
- DOI10.1002/jcc.540100306
- 页码329-343
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