Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> 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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Bibliographic Details
Main Authors: Nawee Kungwan, Khanittha Kerdpol, Rathawat Daengngern, Supa Hannongbua, Mario Barbatti
Format: Journal
Published: 2018
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84896414947&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/45684
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Institution: Chiang Mai University

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