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Results 81-90 of 120 (Search time: 0.002 seconds).
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Issue DateTitleAuthor(s)
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
19-Dec-2019LC-BLYP Calculations of the Structures an Photophysical Properties of [1,3]Thiazolo[4,5- b]pyrazine Derivatives in Cyclohexane an MethanolSupaporn Dokmaisrijan; Nawee Kungwan
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
5-Nov-2019Heteroatom substitution effect on electronic structures, photophysical properties, and excited-state intramolecular proton transfer processes of 3-hydroxyflavone and its analogues: A TD-DFT studyChattarika Sukpattanacharoen; Rusrina Salaeh; Vinich Promarak; Daniel Escudero; Nawee Kungwan
15-Mar-2019A theoretical study on the molecular encapsulation of luteolin and pinocembrin with various derivatized beta-cyclodextrinsPanupong Mahalapbutr; Kanokwan Thitinanthavet; Thadsanee Kedkham; Huy Nguyen; Le thi ha Theu; Supaporn Dokmaisrijan; Lam Huynh; Nawee Kungwan; Thanyada Rungrotmongkol
1-Jan-2019Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: Aromatic influence and chiral alcohol absolute configuration determinationNeeranuth Intakaew; Puracheth Rithchumpon; Chanatkran Prommin; Saranphong Yimklan; Nawee Kungwan; Praput Thavornyutikarn; Puttinan Meepowpan
1-Aug-2019Understanding the role of Ru dopant on selective catalytic reduction of NO with NH <inf>3</inf> over Ru-doped CeO <inf>2</inf> catalystChirawat Chitpakdee; Anchalee Junkaew; Phornphimon Maitarad; Liyi Shi; Vinich Promarak; Nawee Kungwan; Supawadee Namuangruk
1-Jan-2019Nitric oxide oxidation on warped nanographene (C<inf>80</inf>H<inf>30</inf>): a DFT studyThantip Roongcharoen; Nawee Kungwan; Rathawat Daengngern; Chanchai Sattayanon; Supawadee Namuangruk
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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