標題: | Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine |
作者: | Kanno, Manabu Ito, Yuta Shimakura, Noriyuki Koseki, Shiro Kono, Hirohiko Fujimura, Yuichi 應用化學系分子科學碩博班 Institute of Molecular science |
公開日期: | 1-一月-2015 |
摘要: | We theoretically verified the participation of optically dark n pi* states other than S-1 in ultrafast internal conversion of pyrazine. Contrary to a recent semiclassical study, our quantum dynamical calculations demonstrated that their contributions are negligible. |
URI: | http://dx.doi.org/10.1007/978-3-319-13242-6_42 http://hdl.handle.net/11536/128515 |
ISBN: | 978-3-319-13242-6; 978-3-319-13241-9 |
ISSN: | 0930-8989 |
DOI: | 10.1007/978-3-319-13242-6_42 |
期刊: | ULTRAFAST PHENOMENA XIX |
Volume: | 162 |
起始頁: | 176 |
結束頁: | 179 |
顯示於類別: | 會議論文 |