Effects of the second hydration shell on excited-state multiple proton transfer: dynamics simulations of 7-azaindole:(H2O)1-5 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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| Main Authors: | , , , , |
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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-s2.0-84896414947&partnerID=40&md5=ff3ef34d98760ed2d9d223ac1ed30cb9 http://cmuir.cmu.ac.th/handle/6653943832/4781 |
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| Institution: | Chiang Mai University |
| Language: | English |