1. CMU Intellectual Repository

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Issue DateTitleAuthor(s)
1-Aug-2018Synthesis of poly(Rac-lactide) using Tri-n-butyltin(IV) n-butoxide as initiator: The investigation on stereochemistry and polymerization mechanismWanich Limwanich; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
15-Jan-2019Binding pattern and susceptibility of epigallocatechin gallate against envelope protein homodimer of Zika virus: A molecular dynamics studyKowit Hengphasatporn; Nawee Kungwan; Thanyada Rungrotmongkol
1-Dec-2018A spectroscopic study of indigo dye in aqueous solution: A combined experimental and TD-DFT studyNaparat Jiwalak; Rathawat Daengngern; Thanyada Rungrotmongkol; Siriporn Jungsuttiwong; Supawadee Namuangruk; Nawee Kungwan; Supaporn Dokmaisrijan
15-Apr-2019A MnN4 moiety embedded graphene as a magnetic gas sensor for CO detection: A first principle studySarawoot Impeng; Anchalee Junkaew; Phornphimon Maitarad; Nawee Kungwan; Dengsong Zhang; Liyi Shi; Supawadee Namuangruk
1-May-2019Conjugated biopolymer-assisted the binding of polypropylene toward single-walled carbon nanotube: A molecular dynamics simulationWanwisa Panman; Panupong Mahalapbutr; Oraphan Saengsawang; Chompoonut Rungnim; Nawee Kungwan; Thanyada Rungrotmongkol; Supot Hannongbua
15-Aug-2019Encapsulation of alpha-mangostin and hydrophilic beta-cyclodextrins revealed by all-atom molecular dynamics simulationsWiparat Hotarat; Sarunya Phunpee; Chompoonut Rungnim; Peter Wolschann; Nawee Kungwan; Uracha Ruktanonchai; Thanyada Rungrotmongkol; Supot Hannongbua
15-Jul-2019Excited-state intramolecular proton transfer reactions of 2,5-bis(2′-benzoxazolyl)hydroquinone and its water cluster exhibiting single and double proton transfer: A TD-DFT dynamics simulationRathawat Daengngern; Rusrina Salaeh; Tinnakorn Saelee; Khanittha Kerdpol; Nawee Kungwan
1-Jan-2020Influence of butyl group of tin chloride initiators on the non-isothermal DSC ring-opening polymerization of ε-caprolactone: The studies of kinetics, mechanism and polymer synthesisWanich Limwanich; Puttinan Meepowpan; Nawee Kungwan; Winita Punyodom
1-Jan-2020Nuclear quantum and H/D isotope effects on three-centered bonding diborane: Path integral molecular dynamics simulationsRathawat Daengngern; Osamu Kobayashi; Nawee Kungwan; Chanisorn Ngaojampa; Masanori Tachikawa
15-Oct-2020Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanolThantip Roongcharoen; Sarawoot Impeng; Nawee Kungwan; Supawadee Namuangruk

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