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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Main Authors: | Daengngern R., Kerdpol K., Kungwan N., Hannongbua S., Barbatti M. |
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Format: | Article |
Language: | English |
Published: |
2014
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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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