Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water–ammonia: microsolvated dynamics simulation

Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water–ammonia: microsolvated dynamics simulation

© 2014 Taylor & Francis Dynamics simulations of excited-state multiple proton transfer (ESMPT) reactions in 7-azaindole (7AI) with ammonia, mixed water–ammonia, and water molecules were investigated by quantum dynamics simulations in the first-excited state using RI-ADC(2)/SVP-SV(P) in the gas p...

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書目詳細資料
Main Authors:	Kerdpol,K., Daengngern,R., Kungwan,N.
格式:	Article
出版:	Taylor and Francis Ltd. 2015
主題:	Chemistry (all) Chemical Engineering (all) Materials Science (all) Modeling and Simulation Information Systems Condensed Matter Physics
在線閱讀:	http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84908582466&origin=inward http://cmuir.cmu.ac.th/handle/6653943832/38793
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

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