1. CMU Intellectual Repository

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Results 21-30 of 43 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
5-Jul-2018Theoretical Insight into Catalytic Propane Dehydrogenation on Ni(111)Tinnakorn Saelee; Supawadee Namuangruk; Nawee Kungwan; Anchalee Junkaew
11-Oct-2011Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materialsNawee Kungwan; Thanisorn Yakhanthip; Jitrayut Jitonnom; Piched Anuragudom; Siriporn Jungsuttiwong; Supa Hannongbua
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-Jan-2018Oxotitanium-porphyrin for selective catalytic reduction of NO by NH<inf>3</inf>: A theoretical mechanism studyRathawat Daengngern; Phornphimon Maitarad; Liyi Shi; Dengsong Zhang; Nawee Kungwan; Vinich Promarak; Jittima Meeprasert; Supawadee Namuangruk
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
1-Jun-2019Low susceptibility of asunaprevir towards R155K and D168A point mutations in HCV NS3/4A protease: A molecular dynamics simulationJirayu Kammarabutr; Panupong Mahalapbutr; Bodee Nutho; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2019Effects of π-expansion, an additional hydroxyl group, and substitution on the excited state single and double proton transfer of 2-hydroxybenzaldehyde and its relative compounds: TD-DFT static and dynamic studyChanatkran Prommin; Khanittha Kerdpol; Tinnakorn Saelee; Nawee Kungwan
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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