1. CMU Intellectual Repository

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Results 1-10 of 37 (Search time: 0.005 seconds).
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Issue DateTitleAuthor(s)
1-Jan-2013Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanolRathawat Daengngern; Khanittha Kerdpol; Nawee Kungwan; Supa Hannongbua; Mario Barbatti
5-Sep-2013Tin (IV) alkoxide initiator design for poly (d-lactide) synthesis using DFT calculationsNarin Lawan; Sairoong Muangpil; Nawee Kungwan; Puttinan Meepowpan; Vannajan Sanghiran Lee; Winita Punyodom
1-May-2013Application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of alkanes by atomic chlorineTammarat Piansawan; Nawee Kungwan; Siriporn Jungsuttiwong
7-Jul-2012The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: A TDDFT molecular dynamics studyNawee Kungwan; Felix Plasser; Adélia J.A. Aquino; Mario Barbatti; Peter Wolschann; Hans Lischka
15-Sep-2014Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxideChanchai Sattayanon; Watit Sontising; Jitrayut Jitonnom; Puttinan Meepowpan; Winita Punyodom; Nawee Kungwan
1-Jan-2014Combined experimental and theoretical investigation on photophysical properties of trans-azobenzene confined in LTL zeolite: Effect of cis-isomer formingWilaiporn Insuwan; Kunwadee Rangsriwatananon; Jittima Meeprasert; Supawadee Namuangruk; Yaowarat Surakhot; Nawee Kungwan; Siriporn Jungsuttiwong
1-Sep-2014Location and reactivity of extra-framework cation in the alkali exchanged LTL zeolites: A periodic density functional studyJittima Meeprasert; Nawee Kungwan; Siriporn Jungsuttiwong; Supawadee Namuangruk
5-Aug-2014Dynamics simulations of photoinduced proton transfer reactions of 2-(2′-hydroxyphenyl)benzoxazole in the gas phase and its hydrated clustersRathawat Daengngern; Nawee Kungwan
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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