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Issue DateTitleAuthor(s)
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
1-Jan-2017Mechanistic study of NO oxidation on Cr-phthalocyanine: theoretical insightAnchalee Junkaew; Jittima Meeprasert; Bavornpon Jansang; Nawee Kungwan; Supawadee Namuangruk
9-May-2017Microporous, Self-Segregated, Graphenal Polymer Nanosheets Prepared by Dehydrogenative Condensation of Aza-PAHs Building Blocks in the Solid StateFuyu Yuan; Juan Li; Supawadee Namuangruk; Nawee Kungwan; Jia Guo; Changchun Wang
1-Jan-2017Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: Theoretical insightsNarissa Kanlayakan; Khanittha Kerdpol; Chanatkran Prommin; Rusrina Salaeh; Warinthon Chansen; Chanchai Sattayanon; Nawee Kungwan
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
24-Apr-2017Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular DynamicsWasinee Khuntawee; Manaschai Kunaseth; Chompoonut Rungnim; Suradej Intagorn; Peter Wolschann; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
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

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