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Yoong-Kee Choe
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Systematic Alkaline Stability Study of Polymer Backbones for Anion Exchange Membrane Applications
AD Mohanty, SE Tignor, JA Krause, YK Choe, C Bae
Macromolecules 49 (9), 3361–3372, 2016
3392016
An operationally flexible fuel cell based on quaternary ammonium-biphosphate ion pairs
KS Lee, JS Spendelow, YK Choe, C Fujimoto, YS Kim
Nature energy 1 (9), 1-7, 2016
2602016
Intruder state avoidance multireference Møller–Plesset perturbation theory
HA Witek, YK Choe, JP Finley, K Hirao
Journal of computational chemistry 23 (10), 957-965, 2002
2252002
Theoretical study of the Q and B bands of free-base, magnesium, and zinc porphyrins, and their derivatives
T Hashimoto, YK Choe, H Nakano, K Hirao
The Journal of Physical Chemistry A 103 (12), 1894-1904, 1999
2081999
Alkaline stability of benzyl trimethyl ammonium functionalized polyaromatics: a computational and experimental study
YK Choe, C Fujimoto, KS Lee, LT Dalton, K Ayers, NJ Henson, YS Kim
Chemistry of materials 26 (19), 5675-5682, 2014
1812014
Resonance stabilized perfluorinated ionomers for alkaline membrane fuel cells
DS Kim, CH Fujimoto, MR Hibbs, A Labouriau, YK Choe, YS Kim
Macromolecules 46 (19), 7826-7833, 2013
1292013
Nature of proton dynamics in a polymer electrolyte membrane, nafion: a first-principles molecular dynamics study
YK Choe, E Tsuchida, T Ikeshoji, S Yamakawa, S Hyodo
Physical chemistry chemical physics 11 (20), 3892-3899, 2009
1152009
Synthesis, Structure, and Reactivity of Hydridoiridium Complexes Bearing a Pincer‐Type PSiP Ligand
H Fang, YK Choe, Y Li, S Shimada
Chemistry–An Asian Journal 6 (9), 2512-2521, 2011
942011
Theoretical study of the electronic ground state of iron (II) porphine. II
YK Choe, T Nakajima, K Hirao, R Lindh
The Journal of chemical physics 111 (9), 3837-3845, 1999
941999
The energetics of phosphoric acid interactions reveals a new acid loss mechanism
AS Lee, YK Choe, I Matanovic, YS Kim
Journal of materials chemistry A 7 (16), 9867-9876, 2019
922019
Identifying and removing intruder states in multireference Mo/ller–Plesset perturbation theory
YK Choe, HA Witek, JP Finley, K Hirao
The Journal of Chemical Physics 114 (9), 3913-3918, 2001
752001
Multireference Møller–Plesset method with a complete active space configuration interaction reference function
YK Choe, Y Nakao, K Hirao
The Journal of Chemical Physics 115 (2), 621-629, 2001
712001
Nature of water transport and electro-osmosis in nafion: insights from first-principles molecular dynamics simulations under an electric field
YK Choe, E Tsuchida, T Ikeshoji, S Yamakawa, S Hyodo
The Journal of Physical Chemistry B 112 (37), 11586-11594, 2008
672008
First-principles molecular dynamics study on aqueous sulfuric acid solutions
YK Choe, E Tsuchida, T Ikeshoji
The Journal of chemical physics 126 (15), 2007
622007
Theoretical study of the electronic ground state of iron (II) porphine
YK Choe, T Hashimoto, H Nakano, K Hirao
Chemical physics letters 295 (4), 380-388, 1998
531998
Isolation of a Se-nitrososelenol: A new class of reactive nitrogen species relevant to protein Se-nitrosation
K Shimada, K Goto, T Kawashima, N Takagi, YK Choe, S Nagase
Journal of the American Chemical Society 126 (41), 13238-13239, 2004
512004
Multinuclear palladium compounds containing palladium centers ligated by five silicon atoms
S Shimada, YH Li, YK Choe, M Tanaka, M Bao, T Uchimaru
Proceedings of the National Academy of Sciences 104 (19), 7758-7763, 2007
492007
Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative
YK Choe, S Nagase, K Nishimoto
Journal of Computational Chemistry 28 (4), 727-739, 2007
442007
Effect of organic cations on hydrogen oxidation reaction of carbon supported platinum
HT Chung, YK Choe, U Martinez, JH Dumont, A Mohanty, C Bae, ...
Journal of The Electrochemical Society 163 (14), F1503, 2016
422016
An Ab Initio Modeling Study on a Modeled Hydrated Polymer Electrolyte Membrane, Sulfonated Polyethersulfone (SPES)
YK Choe, E Tsuchida, T Ikeshoji, A Ohira, K Kidena
The Journal of Physical Chemistry B 114 (7), 2411-2421, 2010
422010
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