The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study
© 2018 Elsevier B.V. The effect of intermolecular hydrogen bonding played by protic solvents (ammonia, methanol and water) on the excited state proton transfer (ESPT) reaction of 3-hydroxyflavone (3HF) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TD-DF...
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| Main Authors: | , , , , , |
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| Format: | Journal |
| Published: |
2018
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| Subjects: | |
| Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85042007909&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/58463 |
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| Institution: | Chiang Mai University |