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 and 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 ph...

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Bibliographic Details
Main Authors: Khanittha Kerdpol, Rathawat Daengngern, Nawee Kungwan
Format: Journal
Published: 2018
Subjects:
Chemical Engineering
Chemistry
Computer Science
Materials Science
Mathematics
Physics and Astronomy
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84954028112&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/54244
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Institution: Chiang Mai University

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84954028112&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/54244

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