Time-dependent density functional theory
β
Yufang Liu; Junxia Ding; Ruiqiong Liu; Deheng Shi; Jinfeng Sun
π
Article
π
2009
π
John Wiley and Sons
π
English
β 179 KB
π 2 views
## Abstract The geometric structures and infrared (IR) spectra in the electronically excited state of a novel doubly hydrogenβbonded complex formed by fluorenone and alcohols, which has been observed by IR spectra in experimental study, are investigated by the timeβdependent density functional theo