Dynamics simulations of excited-state triple proton transfer in 7-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 dynamics simulations in the first excited state computed with the second order algebraic-diagrammatic constructi...

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Bibliographic Details
Main Authors: Daengngern R., Kerdpol K., Kungwan N., Hannongbua S., Barbatti M.
Format: Article
Language:English
Published: 2014
Online Access:http://www.scopus.com/inward/record.url?eid=2-s2.0-84879480060&partnerID=40&md5=bb39aad3e1467fe4b9fcab8b7d24285f
http://cmuir.cmu.ac.th/handle/6653943832/7077
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Institution: Chiang Mai University
Language: English

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