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Issue DateTitleAuthor(s)
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
15-May-2016Theoretical design of coumarin derivatives incorporating auxiliary acceptor with D-π-A-π-A configuration for dye-sensitized solar cellsRattanawalee Rattanawan; Vinich Promarak; Taweesak Sudyoadsuk; Supawadee Namuangruk; Nawee Kungwan; Shuai Yuan; Siriporn Jungsuttiwong
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-Jan-2017Theoretical guidance and experimental confirmation on catalytic tendency of M-CeO<inf>2</inf>(M = Zr, Mn, Ru Or Cu) for NH<inf>3</inf>-SCR of NOPhornphimon Maitarad; Jin Han; Supawadee Namuangruk; Liyi Shi; Chirawat Chitpakdee; Jittima Meeprasert; Anchalee Junkaew; Nawee Kungwan; Dengsong Zhang
1-Jan-2017Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulationPeerapong Wongpituk; Bodee Nutho; Wanwisa Panman; Nawee Kungwan; Peter Wolschann; Thanyada Rungrotmongkol; Nadtanet Nunthaboot
1-Sep-2020Near-IR aza-BODIPY-based probe for the selective simultaneous detection of Cu<sup>2+</sup> in aqueous buffer solutions and its application in biological samplesPanida Praikaew; Thantip Roongcharoen; Adisri Charoenpanich; Nawee Kungwan; Nantanit Wanichacheva
1-Apr-2021A TD-DFT molecular screening for fluorescence probe based on excited-state intramolecular proton transfer of 2’-hydroxychalcone derivativesWarinthon Chansen; Jen Shiang K. Yu; Nawee Kungwan
1-Oct-2021Tunable keto emission of 2-(2′-hydroxyphenyl)benzothiazole derivatives with π-expansion, substitution and additional proton transfer site for excited-state proton transfer-based fluorescent probes: Theoretical insightsKomsun Chaihan; Thanh Tuân Bui; Fabrice Goubard; Nawee Kungwan
15-Feb-2020Effect of nitrogen substitution and π-conjugation on photophysical properties and excited state intramolecular proton transfer reactions of methyl salicylate derivatives: Theoretical investigationAthis Watwiangkham; Thantip Roongcharoen; Nawee Kungwan