First principles study of the structure, electronic state and stability of cations
- 作者Ling Guo; Hai-shun Wu
- 卷第760卷
- 印刷ISSN0166-1280
- 文件大小167.70KB
- 发表时间2006
- DOI10.1016/j.theochem.2005.10.060
- 页码167-173
同作者推荐
Ab initio configuration interaction singles (CIS) study on polycyclic aromatic molecules (II): Predicting fluorescence quantum yields by calculating the excitation energiesWataru Sotoyama; Hiroyuki Sato; Azuma Matsuura; Norio Sawatari · 2005
Excited States of Phosphorescent Platinum(II) Complexes Containing N∧C∧N-Coordinating Tridentate Ligands: Spectroscopic Investigations and Time-Dependent Density Functional Theory CalculationsSotoyama, Wataru; Satoh, Tasuku; Sato, Hiroyuki; Matsuura, Azuma; Sawatari, Norio · The Journal of Physical Chemistry A · 2005