1. CMU Intellectual Repository

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Results 1-10 of 92 (Search time: 0.005 seconds).
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Issue DateTitleAuthor(s)
1-Sep-2014Organic sensitizers with modified di(thiophen-2-yl)phenylamine donor units for dye-sensitized solar cells: a computational studySupawadee Namuangruk; Jittima Meeprasert; Siriporn Jungsuttiwong; Vinich Promarak; Nawee Kungwan
1-Sep-2014Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimerNawee Kungwan; Yudai Ogata; Supa Hannongbua; Masanori Tachikawa
1-Aug-2014Theoretical study of linker-type effect in carbazole–carbazole-based dyes on performances of dye-sensitized solar cellsNawee Kungwan; Pipat Khongpracha; Supawadee Namuangruk; Jittima Meeprasert; Chirawat Chitpakdee; Siriporn Jungsuttiwong; Vinich Promarak
28-Jun-2014Theoretical investigation of the charge-transfer properties in different meso-linked zinc porphyrins for highly efficient dye-sensitized solar cellsSupawadee Namuangruk; Kanokkorn Sirithip; Rattanawelee Rattanatwan; Tinnagon Keawin; Nawee Kungwan; Taweesak Sudyodsuk; Vinich Promarak; Yaowarat Surakhot; Siriporn Jungsuttiwong
1-Jan-2014Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h<inf>2</inf>o)<inf>1-5</inf> clusters in the gas phaseNawee Kungwan; Khanittha Kerdpol; Rathawat Daengngern; Supa Hannongbua; Mario Barbatti
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
15-Dec-2011Excited-state intermolecular proton transfer reactions of 7-azaindole(MeOH)<inf>n</inf>(n = 1-3) clusters in the gas phase: On-the-fly dynamics simulationRathawat Daengngern; Nawee Kungwan; Peter Wolschann; Adélia J.A. Aquino; Hans Lischka; Mario Barbatti
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

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