Browsing by Author Nawee Kungwan

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Issue DateTitleAuthor(s)
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
1-Nov-2017Reaction and free-energy pathways of hydrogen activation on partially promoted metal edge of CoMoS and NiMoS: A DFT and thermodynamics studyChanchai Sattayanon; Supawadee Namuangruk; Nawee Kungwan; Manaschai Kunaseth
21-Sep-2020Removal of H<inf>2</inf>S to produce hydrogen in the presence of CO on a transition metal-doped ZSM-12 catalyst: a DFT mechanistic studyTanabat Mudchimo; Suparada Kamchompoo; Yuwanda Injongkol; Rattanawalee Rattanawan; Nawee Kungwan; Siriporn Jungsuttiwong
15-Oct-2020Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanolThantip Roongcharoen; Sarawoot Impeng; Nawee Kungwan; Supawadee Namuangruk
7-Apr-2020The Role of Metal Species on Aldehyde Hydrogenation over Co<inf>13</inf> and Ni<inf>13</inf> Supported on γ-Al<inf>2</inf>O<inf>3</inf>(110) Surfaces: A Theoretical StudyRusrina Salaeh; Kajornsak Faungnawakij; Nawee Kungwan; Pussana Hirunsit
1-Oct-2016Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA studyJiraphorn Phanich; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
1-Jan-2019Role of Sn promoter in Ni/Al<inf>2</inf>O<inf>3</inf> catalyst for the deoxygenation of stearic acid and coke formation: Experimental and theoretical studiesPromporn Reangchim; Tinnakorn Saelee; Vorranutch Itthibenchapong; Anchalee Junkaew; Narong Chanlek; Apiluck Eiad-Ua; Nawee Kungwan; Kajornsak Faungnawakij
11-Jun-2017Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamicsBodee Nutho; Arthitaya Meeprasert; Methat Chulapa; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2017Significant enhancement in the performance of porphyrin for dye-sensitized solar cells: Aggregation control using chenodeoxycholic acidSiriporn Jungsuttiwong; Kanokkorn Sirithip; Narid Prachumrak; Ruangchai Tarsang; Taweesak Sudyoadsuk; Supawadee Namuangruk; Nawee Kungwan; Vinich Promarak; Tinnagon Keawin
4-May-2020A Solid-State Luminescent Cd(II) Supramolecular Coordination Framework Based on Mixed Luminophores as a Sensor for Discriminatively Selective Detection of Amine VaporsSujitra Tunsrichon; Chattarika Sukpattanacharoen; Daniel Escudero; Nawee Kungwan; Sujittra Youngme; Jaursup Boonmak
1-Jan-2017Solvent dependence of double proton transfer in the formic acid-formamidine complex: Path integral molecular dynamics investigationNawee Kungwan; Chanisorn Ngaojampa; Yudai Ogata; Tsutomu Kawatsu; Yuki Oba; Yukio Kawashima; Masanori Tachikawa
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
6-Jul-2015Stepwise double excited-state proton transfer is not possible in 7-azaindole dimerRachel Crespo-Otero; Nawee Kungwan; Mario Barbatti
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-Feb-2018Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculationsSomphob Thompho; Oraphan Saengsawang; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
1-Jan-2019Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: Aromatic influence and chiral alcohol absolute configuration determinationNeeranuth Intakaew; Puracheth Rithchumpon; Chanatkran Prommin; Saranphong Yimklan; Nawee Kungwan; Praput Thavornyutikarn; Puttinan Meepowpan
1-Aug-2018Synthesis of poly(Rac-lactide) using Tri-n-butyltin(IV) n-butoxide as initiator: The investigation on stereochemistry and polymerization mechanismWanich Limwanich; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
2018Synthesis of Poly(rac-lactide) Using Tri-n-Butyltin(IV) n-Butoxide as Initiator: The Investigation on Stereochemistry and Polymerization MechanismWanich Limwanich; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
30-Dec-2020Synthesis, Thermal, Optical and Electrochemical Properties of Acridone and Thioxanthone Based Push-Pull MoleculesHuong T. Le; Rusrina Saleah; Nawee Kungwan; Mai Phuong Nghiem; Fabrice Goubard; Thanh Tuân Bui
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