1. CMU Intellectual Repository

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Results 41-50 of 92 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
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-Sep-2018Theoretical analysis of orientations and tautomerization of genistein in β-cyclodextrinChonnikan Hanpaibool; Tipsuda Chakcharoensap; Arifin; Yuh Hijikata; Stephan Irle; Peter Wolschann; Nawee Kungwan; Piamsook Pongsawasdi; Puey Ounjai; Thanyada Rungrotmongkol
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-2018Influence of hydrogen spillover on Pt-decorated carbon nanocones for enhancing hydrogen storage capacity: A DFT mechanistic studyNuttapon Yodsin; Chompoonut Rungnim; Vinich Promarak; Supawadee Namuangruk; Nawee Kungwan; Rattanawalee Rattanawan; Siriporn Jungsuttiwong
1-Feb-2018The effect of protic solvents on the excited state proton transfer of 3-hydroxyflavone: A TD-DFT static and molecular dynamics studyRusrina Salaeh; Chanatkran Prommin; Warinthon Chansen; Khanittha Kerdpol; Rathawat Daengngern; Nawee Kungwan
1-Mar-2017Asymmetric hydrogen bonding in formic acid–nitric acid dimer observed by quantum molecular dynamics simulationsChanisorn Ngaojampa; Tsutomu Kawatsu; Yuki Oba; Nawee Kungwan; Masanori Tachikawa
1-Jan-2016Kinetics studies of non-isothermal melt crystallization of poly(ε-caprolactone) and poly(L-lactide)Wanich Limwanich; Sawarot Phetsuk; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
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-2017Push-Pull N-Annulated Perylene-Based Sensitizers for Dye-Sensitized Solar Cells: Theoretical Property Tuning by DFT/TDDFTSarinya Hadsadee; Rattanawalee Rattanawan; Ruangchai Tarsang; Nawee Kungwan; Siriporn Jungsuttiwong

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