One-photon Absorption Characterizations, Dipole Polarizabilities and Second Hyperpolarizabilities of Chlorophyll a and Crocin
The dispersion-free dipole polarizability (α) computations for chlorophyll a (1) and crocin (2) have been achieved by density functional theory (DFT) at B3LYP/ 6-31G(d) level. The measured one-photon absorption (OPA) wavelengths are quite consistence with the theoretically obtained values. Ab-initio...
Saved in:
| Main Authors: | , , , , , , , , , |
|---|---|
| 格式: | Article |
| 出版: |
De Gruyter
2018
|
| 主题: | |
| 在线阅读: | http://eprints.um.edu.my/21693/ https://doi.org/10.1515/chem-2018-0134 |
| 标签: |
添加标签
没有标签, 成为第一个标记此记录!
|