1. CMU Intellectual Repository

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Results 1-10 of 12 (Search time: 0.002 seconds).
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Issue DateTitleAuthor(s)
1-Jan-2017The complete reaction mechanism of H<inf>2</inf>S desulfurization on an anatase TiO<inf>2</inf>(001) surface: A density functional theory investigationAnchalee Junkaew; Phornphimon Maitarad; Raymundo Arróyave; Nawee Kungwan; Dengsong Zhang; Liyi Shi; Supawadee Namuangruk
1-Jan-2017Mechanistic study of CO oxidation by N<inf>2</inf>O over Ag<inf>7</inf>Au<inf>6</inf>cluster investigated by DFT methodsYutthana Wongnongwa; Supawadee Namuangruk; Nawee Kungwan; Siriporn Jungsuttiwong
1-Jan-2017Anchoring number-performance relationship of zinc-porphyrin sensitizers for dye-sensitized solar cells: A combined experimental and theoretical studyTinnagon Keawin; Ruangchai Tarsang; Kanokkorn Sirithip; Narid Prachumrak; Taweesak Sudyoadsuk; Supawadee Namuangruk; Jean Roncali; Nawee Kungwan; Vinich Promarak; Siriporn Jungsuttiwong
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
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
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

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