Comparison of the performance of local, gradient-corrected, and hybrid density functional models in predicting infrared intensities
Halls, Mathew D.; Schlegel, H. Bernhard
- 期刊名称The Journal of Chemical Physics
- 作者Halls, Mathew D.; Schlegel, H. Bernhard
- 卷第109卷
- 期第24期
- 印刷ISSN0021-9606
- 文件大小353.81KB
- 发表时间1998
- DOI10.1063/1.476518