1. CMU Intellectual Repository

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Results 11-20 of 24 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
1-Apr-2016How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?Chompoonut Rungnim; Rungroj Chanajaree; Thanyada Rungrotmongkol; Supot Hannongbua; Nawee Kungwan; Peter Wolschann; Alfred Karpfen; Vudhichai Parasuk
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-May-2016Conformation study of ε-cyclodextrin: Replica exchange molecular dynamics simulationsWasinee Khuntawee; Thanyada Rungrotmongkol; Peter Wolschann; Piamsook Pongsawasdi; Nawee Kungwan; Hisashi Okumura; Supot Hannongbua
1-Jan-2016Inclusion complexation of pinostrobin with various cyclodextrin derivativesJintawee Kicuntod; Wasinee Khuntawee; Peter Wolschann; Piamsook Pongsawasdi; Warinthorn Chavasiri; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jun-2016Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesPatcharapong Thangsunan; Sila Kittiwachana; Puttinan Meepowpan; Nawee Kungwan; Panchika Prangkio; Supa Hannongbua; Nuttee Suree
1-Oct-2016Role of R292K mutation in influenza H7N9 neuraminidase toward oseltamivir susceptibility: MD and MM/PB(GB)SA studyJiraphorn Phanich; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
16-Jul-2016Theoretical investigation of 2-(iminomethyl)phenol in the gas phase as a prototype of ultrafast excited-state intramolecular proton transferRathawat Daengngern; Chanatkran Prommin; Thanyada Rungrotmongkol; Vinich Promarak; Peter Wolschann; Nawee Kungwan
15-Aug-2016Theoretical study of efficiency comparison of Ti (IV) alkoxides as initiators for ring-opening polymerization of ε-caprolactoneAtichart Silawanich; Sairoong Muangpil; Nawee Kungwan; Puttinan Meepowpan; Winita Punyodom; Narin Lawan

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