Browsing by Author Kungwan N.

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Issue DateTitleAuthor(s)
1-Jan-2016A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidasePhanich J.; Rungrotmongkol T.; Sindhikara D.; Phongphanphanee S.; Yoshida N.; Hirata F.; Kungwan N.; Hannongbua S.
1-Jan-2016A Cr-phthalocyanine monolayer as a potential catalyst for NO reduction investigated by DFT calculationsMeeprasert J.; Junkaew A.; Kungwan N.; Jansang B.; Namuangruk S.
30-Mar-2016A DFT study of arsine adsorption on palladium doped graphene: Effects of palladium cluster sizeKunaseth M.; Mudchimo T.; Namuangruk S.; Kungwan N.; Promarak V.; Jungsuttiwong S.
-A DFT study of volatile organic compounds adsorption on transition metal deposited grapheneKunaseth M.; Poldorn P.; Junkeaw A.; Meeprasert J.; Rungnim C.; Namuangruk S.; Kungwan N.; Inntam C.; Jungsuttiwong S.
1-Jan-2017Anchoring number-performance relationship of zinc-porphyrin sensitizers for dye-sensitized solar cells: A combined experimental and theoretical studyKeawin T.; Tarsang R.; Sirithip K.; Prachumrak N.; Sudyoadsuk T.; Namuangruk S.; Roncali J.; Kungwan N.; Promarak V.; Jungsuttiwong S.
2013Application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of alkanes by atomic chlorinePiansawan T.; Kungwan N.; Jungsuttiwong S.
3Asymmetric hydrogen bonding in formic acid–nitric acid dimer observed by quantum molecular dynamics simulationsNgaojampa C.; Kawatsu T.; Oba Y.; Kungwan N.; Tachikawa M.
28-Feb-2016Capability of defective graphene-supported Pd<inf>13</inf> and Ag<inf>13</inf> particles for mercury adsorptionMeeprasert J.; Junkaew A.; Rungnim C.; Kunaseth M.; Kungwan N.; Promarak V.; Namuangruk S.
1-Jan-2017Combined experimental and theoretical investigation on Fluorescence Resonance Energy Transfer of dye loaded on LTL zeoliteInsuwan W.; Rangsriwatananon K.; Meeprasert J.; Namuangruk S.; Surakhot Y.; Kungwan N.; Jungsuttiwong S.
2014Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer formingInsuwan W.; Rangsriwatananon K.; Meeprasert J.; Namuangruk S.; Surakhot Y.; Kungwan N.; Jungsuttiwong S.
4Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular DynamicsKhuntawee W.; Kunaseth M.; Rungnim C.; Intagorn S.; Wolschann P.; Kungwan N.; Rungrotmongkol T.; Hannongbua S.
5-Jun-2016Complete reaction mechanisms of mercury oxidation on halogenated activated carbonRungnim C.; Promarak V.; Hannongbua S.; Kungwan N.; Namuangruk S.
5-May-2016Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulationsKhuntawee W.; Rungrotmongkol T.; Wolschann P.; Pongsawasdi P.; Kungwan N.; Okumura H.; Hannongbua S.
1-Jan-2016Coumarin-based donor–π–acceptor organic dyes for a dye-sensitized solar cell: photophysical properties and electron injection mechanismNamuangruk S.; Jungsuttiwong S.; Kungwan N.; Promarak V.; Sudyoadsuk T.; Jansang B.; Ehara M.
30-Jan-2016Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metalsJungsuttiwong S.; Wongnongwa Y.; Namuangruk S.; Kungwan N.; Promarak V.; Kunaseth M.
2013Dynamics simulations of excited-state triple proton transfer in 7-azaindole complexes with water, water-methanol and methanolDaengngern R.; Kerdpol K.; Kungwan N.; Hannongbua S.; Barbatti M.
2013Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanolDaengngern R.; Kerdpol K.; Kungwan N.; Hannongbua S.; Barbatti M.
2014Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clustersDaengngern R.; Kungwan N.
30-Jun-2012The effect of conjugated spacer on novel carbazole derivatives for dye-sensitized solar cells: Density functional theory/time-dependent density functional theory studyJungsuttiwong S.; Yakhanthip T.; Surakhot Y.; Khunchalee J.; Sudyoadsuk T.; Promarak V.; Kungwan N.; Namuangruk S.
1-Jan-2016Effect of D168V mutation in NS3/4A HCV protease on susceptibilities of faldaprevir and danoprevirMeeprasert A.; Hannongbua S.; Kungwan N.; Rungrotmongkol T.