| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1231425 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 6 Pages |
Abstract
⺠The results show that the B3LYP function is more accurate in these simulations. ⺠The solvent polarity would affect the photophysics properties of this switch. ⺠The basis sets appear to have only a small influence on the TDDFT calculation.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Han Wu, Yanni Wang, Hongming Wang, Yan Ju,