Search Results - "Chansen, Warinthon"
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Theoretical Insights into Excited-State Intermolecular Proton Transfers of 2,7-Diazaindole in Water Using a Microsolvation Approach
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24-06-2021)“…The detailed excited-state intermolecular proton transfer (ESInterPT) mechanism of 2,7-diazaindole with water wires consisting of either one or two shells…”
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Tautomeric enhancement of 2-(1H-pyrazol-5-yl)pyridine in photoinduced proton transfer by water-assisted molecules
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (20-09-2024)“…Theoretical insight of excited state proton transfer (ESPT) in 2-(1H-pyrazol-5-yl)pyridine abbreviated as PPP interacting with water wires: PPP(H2O)n where n =…”
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Tunable fluorescence of Imidazo[1,2‐a]pyridine derivatives with additional proton transfer sites Harnessing excited-state intramolecular double proton transfer: Theoretical insight
Published in Journal of luminescence (01-09-2022)“…Electronic properties and excited-state intramolecular proton transfers of a new designed series of doubly intramolecular hydrogen bonding molecules having…”
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A TD-DFT molecular screening for fluorescence probe based on excited-state intramolecular proton transfer of 2’-hydroxychalcone derivatives
Published in Journal of photochemistry and photobiology. A, Chemistry. (01-04-2021)“…[Display omitted] •Screening for fluorescent probe of 2HC derivatives with different EDG/EWD are performed.•2HC derivatives with strong EDG/EWD emit emission…”
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Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2‑(2′-Hydroxyphenyl)benzimidazole
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (10-08-2017)“…Excited-state proton transfer (ESPT) processes of 2-(2′-hydroxyphenyl)benzimidazole (HBI) and its complexation with protic solvents (H2O, CH3OH, and NH3) have…”
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The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics study
Published in Journal of molecular liquids (01-02-2018)“…The effect of intermolecular hydrogen bonding played by protic solvents (ammonia, methanol and water) on the excited state proton transfer (ESPT) reaction of…”
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Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivatives
Published in Computational and theoretical chemistry (01-08-2017)“…[Display omitted] •Calculated electronic spectra of HBQ agree with experiments.•Geometry changes lead to different electronic spectra.•Potential energy…”
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