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Browsing by Author Khanittha Kerdpol

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Showing results 1 to 14 of 14
Issue DateTitleAuthor(s)
16-Jan-2019Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulationsKhanittha Kerdpol; Jintawee Kicuntod; Peter Wolschann; Seiji Mori; Chompoonut Rungnim; Manaschai Kunaseth; Hisashi Okumura; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2013Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanolRathawat Daengngern; Khanittha Kerdpol; Nawee Kungwan; Supa Hannongbua; Mario Barbatti
1-Feb-2018The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics studyRusrina Salaeh; Chanatkran Prommin; Warinthon Chansen; Khanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
2-Feb-2021Effect of water microsolvation on the excited-state proton transfer of 3-hydroxyflavone enclosed in -cyclodextrinKhanittha Kerdpol; Rathawat Daengngern; Chanchai Sattayanon; Supawadee Namuangruk; Thanyada Rungrotmongkol; Peter Wolschann; Nawee Kungwan; Supot Hannongbua
1-Jan-2017Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: Theoretical insightsNarissa Kanlayakan; Khanittha Kerdpol; Chanatkran Prommin; Rusrina Salaeh; Warinthon Chansen; Chanchai Sattayanon; Nawee Kungwan
1-Jan-2014Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> clusters in the gas phaseNawee Kungwan; Khanittha Kerdpol; Rathawat Daengngern; Supa Hannongbua; Mario Barbatti
1-Jan-2019Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic studyChanatkran Prommin; Khanittha Kerdpol; Tinnakorn Saelee; Nawee Kungwan
15-Jul-2019Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulationRathawat Daengngern; Rusrina Salaeh; Tinnakorn Saelee; Khanittha Kerdpol; Nawee Kungwan
22-Sep-2015Excited-state proton-transfer reactions of 7-azaindole with water, ammonia and mixed water-ammonia: Microsolvated dynamics simulationKhanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
1-Aug-2017Heteroatom effect on photophysical properties of 2-(2′-hydroxyphenyl)benzimidazole and its derivatives as fluorescent dyes: A TD-DFT studyNatthaporn Manojai; Rathawat Daengngern; Khanittha Kerdpol; Chanisorn Ngaojampa; Nawee Kungwan
1-Mar-2017TD-DFT Study of Absorption and Emission Spectra of 2-(2′-Aminophenyl)benzothiazole Derivatives in WaterNatthaporn Manojai; Rathawat Daengngern; Khanittha Kerdpol; Nawee Kungwan; Chanisorn Ngaojampa
1-Aug-2016Theoretical insights into photoinduced proton transfer of 7-hydroxyquinoline via intermolecular hydrogen-bonded wire of mixed methanol and waterKhanittha Kerdpol; Rathawat Daengngern; Jittima Meeprasert; Supawadee Namuangruk; Nawee Kungwan
10-Aug-2017Theoretical Insights on Solvent Control of Intramolecular and Intermolecular Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazoleChanatkran Prommin; Narissa Kanlayakan; Warinthon Chansen; Rusrina Salaeh; Khanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
1-Aug-2017Theoretical study on influence of geometry controlling over the excited-state intramolecular proton transfer of 10-hydroxybenzo[h]quinoline and its derivativesWarinthon Chansen; Rusrina Salaeh; Chanatkran Prommin; Khanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
Showing results 1 to 14 of 14