Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol

Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol

Excited-state triple proton transfer (ESTPT) reactions in 7-azaindole (7AI) complexed with two water,with one water and one methanol, and with two methanol molecules were investigated by dynamicssimulations in the first excited state computed with the second order algebraic-diagrammatic construc-tio...

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Bibliographic Details
Main Authors: Rathawat Daengngern, Khanittha Kerdpol, Nawee Kungwan, Supa Hannongbua, Mario Barbatti
Format: Journal
Published: 2018
Subjects:
Chemical Engineering
Chemistry
Physics and Astronomy
Online Access:https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84879480060&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/52361
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Institution: Chiang Mai University

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https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84879480060&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/52361

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