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Issue DateTitleAuthor(s)
30-Mar-2016A DFT study of arsine adsorption on palladium doped graphene: Effects of palladium cluster sizeManaschai Kunaseth; Tanabat Mudchimo; Supawadee Namuangruk; Nawee Kungwan; Vinich Promarak; Siriporn Jungsuttiwong
28-Feb-2016Capability of defective graphene-supported Pd<inf>13</inf>and Ag<inf>13</inf>particles for mercury adsorptionJittima Meeprasert; Anchalee Junkaew; Chompoonut Rungnim; Manaschai Kunaseth; Nawee Kungwan; Vinich Promarak; Supawadee Namuangruk
30-Jan-2016Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metalsSiriporn Jungsuttiwong; Yutthana Wongnongwa; Supawadee Namuangruk; Nawee Kungwan; Vinich Promarak; Manaschai Kunaseth
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-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
28-Feb-2017A DFT study of volatile organic compounds adsorption on transition metal deposited grapheneManaschai Kunaseth; Preeyaporn Poldorn; Anchalee Junkeaw; Jittima Meeprasert; Chompoonut Rungnim; Supawadee Namuangruk; Nawee Kungwan; Chan Inntam; Siriporn Jungsuttiwong
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
16-Jan-2019Cavity closure of 2-hydroxypropyl-β-cyclodextrin: Replica exchange molecular dynamics simulationsKhanittha Kerdpol; Jintawee Kicuntod; Peter Wolschann; Seiji Mori; Chompoonut Rungnim; Manaschai Kunaseth; Hisashi Okumura; Nawee Kungwan; Thanyada Rungrotmongkol

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