Vibronic spectra of vinyl chloride by ab initio calculation of the Franck-Condon Factors
碩士 === 國立臺灣大學 === 化學研究所 === 87 === The vibronic spectra of vinyl chloride have been studied using ab initio molecular orbital methods. Geometries of the singlet excited electronic states have been optimized at the CASSCF levels of theory with the 6-31G** basis set for H and 6-31++G** ba...
| Main Authors: | , |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
1999
|
| Online Access: | http://ndltd.ncl.edu.tw/handle/56311765263087740870 |