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DFT/TDDFT methods analysis of ESIPT process in a series of 7-hydroxy-1-indanone derivates and new dyad design
In this work, DFT/TDDFT methods were utilized to have an analysis on the excited-state intramolecular proton transfer (ESIPT) in a series of 7-hydroxy-1-indanone derivates. By comparison of the relative energy in first excited state of each isomer, it is concluded that the direction of ESIPT is deci...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Elsevier
2018-11-01
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| Colecção: | Journal of Saudi Chemical Society |
| Acesso em linha: | http://www.sciencedirect.com/science/article/pii/S1319610318300012 |
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