Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules
- 作者Philippe Carbonniere; Tecla Lucca; Claude Pouchan; Nadia Rega; Vincenzo Barone
- 卷第26卷
- 期第4期
- 印刷ISSN0192-8651
- 电子ISSN1096-987X
- 文件大小172.63KB
- 发表时间2005
- DOI10.1002/jcc.20170
- 页码384-388