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Issue DateTitleAuthor(s)
1-Sep-2014Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimerNawee Kungwan; Yudai Ogata; Supa Hannongbua; Masanori Tachikawa
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-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-Dec-2013Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanolNawee Kungwan; Rathawat Daengngern; Tammarat Piansawan; Supa Hannongbua; Mario Barbatti
1-Jun-2016Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesPatcharapong Thangsunan; Sila Kittiwachana; Puttinan Meepowpan; Nawee Kungwan; Panchika Prangkio; Supa Hannongbua; Nuttee Suree
11-Oct-2011Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materialsNawee Kungwan; Thanisorn Yakhanthip; Jitrayut Jitonnom; Piched Anuragudom; Siriporn Jungsuttiwong; Supa Hannongbua

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