1. CMU Intellectual Repository

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Results 1-10 of 11 (Search time: 0.002 seconds).
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Issue DateTitleAuthor(s)
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
1-Sep-2018Theoretical analysis of orientations and tautomerization of genistein in β-cyclodextrinChonnikan Hanpaibool; Tipsuda Chakcharoensap; Arifin; Yuh Hijikata; Stephan Irle; Peter Wolschann; Nawee Kungwan; Piamsook Pongsawasdi; Puey Ounjai; Thanyada Rungrotmongkol
1-Feb-2018Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculationsSomphob Thompho; Oraphan Saengsawang; Thanyada Rungrotmongkol; Nawee Kungwan; Supot Hannongbua
15-Jul-2017Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethyleneSutiam Kruawan; Manussada Ratanasak; Rungroj Chanajaree; Thanyada Rungrotmongkol; Oraphan Saengsawang; Vudhichai Parasuk; Nawee Kungwan; Supot Hannongbua
1-Jan-2017Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: Molecular dynamics simulationPeerapong Wongpituk; Bodee Nutho; Wanwisa Panman; Nawee Kungwan; Peter Wolschann; Thanyada Rungrotmongkol; Nadtanet Nunthaboot
1-Dec-2017Molecular recognition of naphthoquinone-containing compounds against human DNA topoisomerase IIα ATPase domain: A molecular modeling studyPanupong Mahalapbutr; Phakawat Chusuth; Nawee Kungwan; Warinthorn Chavasiri; Peter Wolschann; Thanyada Rungrotmongkol
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
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-Mar-2019Designed antiviral ankyrin – A computational approach to combat HIV-1 via intracellular pathway by targeting the viral capsid of HIV-1Hana Atiqah Abdul Karim; Thanyada Rungrotmongkol; Sharifuddin M. Zain; Noorsaadah Abd Rahman; Chatchai Tayapiwattana; Vannajan Sanghiran Lee

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