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Browsing by Author Rathawat Daengngern

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Showing results 3 to 22 of 26 < previous   next >
Issue DateTitleAuthor(s)
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
25-Nov-2016Effect of surface modification of poly(L-lactide-co-ε-caprolactone) membranes by low-pressure plasma on support cell biocompatibilityDonraporn Daranarong; Pimwalan Techaikool; Watcharaporn Intatue; Rathawat Daengngern; Kyle A. Thomson; Robert Molloy; Nawee Kungwan; L. John R. Foster; Dheerawan Boonyawan; Winita Punyodom
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-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
10-Jul-2015Electronic and photophysical properties of 2-(2′-hydroxyphenyl)benzoxazole and its derivatives enhancing in the excited-state intramolecular proton transfer processes: A TD-DFT study on substitution effectRathawat Daengngern; Nawee Kungwan
15-Dec-2011Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)<inf>n</inf>(n = 1-3) clusters in the gas phase: On-the-fly dynamics simulationRathawat Daengngern; Nawee Kungwan; Peter Wolschann; Adélia J.A. Aquino; Hans Lischka; Mario Barbatti
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-Jan-2019Nitric oxide oxidation on warped nanographene (C<inf>80</inf>H<inf>30</inf>): a DFT studyThantip Roongcharoen; Nawee Kungwan; Rathawat Daengngern; Chanchai Sattayanon; Supawadee Namuangruk
1-Jan-2020Nuclear quantum and H/D isotope effects on three-centered bonding diborane: Path integral molecular dynamics simulationsRathawat Daengngern; Osamu Kobayashi; Nawee Kungwan; Chanisorn Ngaojampa; Masanori Tachikawa
1-Jan-2018Oxotitanium-porphyrin for selective catalytic reduction of NO by NH<inf>3</inf>: A theoretical mechanism studyRathawat Daengngern; Phornphimon Maitarad; Liyi Shi; Dengsong Zhang; Nawee Kungwan; Vinich Promarak; Jittima Meeprasert; Supawadee Namuangruk
1-Oct-2018Physico-chemical characterization of natural lake pigments obtained from Caesalpinia Sappan Linn. and their composite films for poly(lactic acid)-based packaging materialsSutinee Girdthep; Jitnapa Sirirak; Donraporn Daranarong; Rathawat Daengngern; Supanee Chayabutra
1-Dec-2018A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT studyNaparat Jiwalak; Rathawat Daengngern; Thanyada Rungrotmongkol; Siriporn Jungsuttiwong; Supawadee Namuangruk; Nawee Kungwan; Supaporn Dokmaisrijan
10-Feb-2009Synthesis and characterization of redox-active tris(pyrazolyl)borate cobalt complexesDavid J. Harding; Phimphaka Harding; Rathawat Daengngern; Saranphong Yimklan; Harry Adams
1-Jan-2009Synthesis and characterization of redox-active tris(pyrazolyl)borate cobalt complexesDavid J. Harding; Phimphaka Harding; Rathawat Daengngern; Saranphong Yimklan; Harry Adams
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
16-Jul-2016Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transferRathawat Daengngern; Chanatkran Prommin; Thanyada Rungrotmongkol; Vinich Promarak; Peter Wolschann; Nawee Kungwan
Showing results 3 to 22 of 26 < previous   next >