Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase

Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase

Dynamics of the multiple excited-state proton transfer (ESPT) in clusters of 7-azaindole with up to five water molecules was investigated with quantum chemical methods. The ultrafast excited-state dynamics triggered by photoexcitation was simulated with the algebraic diagrammatic construction to the...

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書目詳細資料
Main Authors:	Kungwan N., Kerdpol K., Daengngern R., Hannongbua S., Barbatti M.
格式:	Article
語言:	English
出版:	2014
在線閱讀:	http://www.scopus.com/inward/record.url?eid=2-s2.0-84896414947&partnerID=40&md5=ff3ef34d98760ed2d9d223ac1ed30cb9 http://cmuir.cmu.ac.th/handle/6653943832/4781
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Chiang Mai University
語言:	English

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