Yoong-Kee Choe

发表

Effect of the axial cysteine ligand on the electronic structure and reactivity of high‐valent iron(IV) oxo‐porphyrins (Compound I): A theoretical study

Shigeru Nagase, Yoong-Kee Choe, S. Nagase, 2005, J. Comput. Chem..

Intruder state avoidance multireference Møller–Plesset perturbation theory

Kimihiko Hirao, Yoong-Kee Choe, Henryk A. Witek, 2002, J. Comput. Chem..

Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative

Shigeru Nagase, Yoong-Kee Choe, Kichisuke Nishimoto, 2007, J. Comput. Chem..

Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations

Yoong-Kee Choe, Eiji Tsuchida, E. Tsuchida, 2011, Comput. Phys. Commun..

Electrical property of a sulfuric acid-water mixture from the first-principles molecular dynamics simulation

Yoong-Kee Choe, Tamio Ikeshoji, Eiji Tsuchida, 2007, Comput. Phys. Commun..

Nature of proton dynamics in a polymer electrolyte membrane, nafion: a first-principles molecular dynamics study.

Yoong-Kee Choe, Tamio Ikeshoji, Eiji Tsuchida, 2009, Physical chemistry chemical physics : PCCP.

THEORETICAL STUDY OF THE ELECTRONIC GROUND STATE OF IRON(II) PORPHINE

Kimihiko Hirao, Yoong-Kee Choe, Haruyuki Nakano, 1998 .

Alkaline Stability of Benzyl Trimethyl Ammonium Functionalized Polyaromatics: A Computational and Experimental Study

Yoong-Kee Choe, Neil J. Henson, Cy H. Fujimoto, 2014 .

THEORETICAL STUDY OF THE ELECTRONIC GROUND STATE OF IRON(II) PORPHINE. II

Kimihiko Hirao, Roland Lindh, Yoong-Kee Choe, 1999 .

An ab initio modeling study on a modeled hydrated polymer electrolyte membrane, sulfonated polyethersulfone (SPES).

Yoong-Kee Choe, Tamio Ikeshoji, Akihiro Ohira, 2010, The journal of physical chemistry. B.