Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole
© 2017 American Chemical Society. Excited-state proton transfer (ESPT) processes of 2-(2′-hydroxyphenyl)benzimidazole (HBI) and its complexation with protic solvents (H2O, CH3OH, and NH3) have been investigated by both static calculations and dynamics simulations using density functional theory (DFT...
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| Main Authors: | , , , , , , |
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| 格式: | 雜誌 |
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2018
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85027458859&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/56970 |
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