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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
1-Dec-2013Theoretical investigation on the mechanism and kinetics of the ring-opening polymerization of ε-caprolactone initiated by tin(II) alkoxidesChanchai Sattayanon; Nawee Kungwan; Winita Punyodom; Puttinan Meepowpan; Siriporn Jungsuttiwong
1-Dec-2016Kinetic and mechanistic investigation of the ring-opening polymerization of l-lactide initiated by nBu<inf>3</inf>SnOnBu using<sup>1</sup>H-NMRWanich Limwanich; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
1-Jan-2016Manipulation of Amorphous-to-Crystalline Transformation: Towards the Construction of Covalent Organic Framework Hybrid Microspheres with NIR Photothermal Conversion AbilityJing Tan; Supawadee Namuangruk; Weifu Kong; Nawee Kungwan; Jia Guo; Changchun Wang
1-Jan-2016A Cr-phthalocyanine monolayer as a potential catalyst for NO reduction investigated by DFT calculationsJittima Meeprasert; Anchalee Junkaew; Nawee Kungwan; Bavornpon Jansang; Supawadee Namuangruk
1-Apr-2016How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?Chompoonut Rungnim; Rungroj Chanajaree; Thanyada Rungrotmongkol; Supot Hannongbua; Nawee Kungwan; Peter Wolschann; Alfred Karpfen; Vudhichai Parasuk
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
1-Jan-2018Catalytic reduction mechanism of deoxygenation of NO via the CO-reaction pathway using nanoalloy Ag<inf>7</inf>Au<inf>6</inf>clusters: Density functional theory investigationYutthana Wongnongwa; Supawadee Namuangruk; Nawee Kungwan; Siriporn Jungsuttiwong
5-Oct-2015Metal cluster-deposited graphene as an adsorptive material for m-xyleneAnchalee Junkaew; Chompoonut Rungnim; Manaschai Kunaseth; Raymundo Arróyave; Vinich Promarak; Nawee Kungwan; Supawadee Namuangruk
1-Jan-2017Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexesBodee Nutho; Nadtanet Nunthaboot; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol