Intruder state avoidance multireference Møller-Plesset perturbation theory. - Henryk A. Witek; Yoong-Kee Choe; James P. Finley; Kimihiko Hirao (J. Comput. Chem., 2002)

Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study. - Yoong-Kee Choe; Shigeru Nagase (J. Comput. Chem., 2005)

Electrical property of a sulfuric acid-water mixture from the first-principles molecular dynamics simulation. - Yoong-Kee Choe; Eiji Tsuchida; Tamio Ikeshoji (Comput. Phys. Commun., 2007)

Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative. - Yoong-Kee Choe; Shigeru Nagase; Kichisuke Nishimoto (J. Comput. Chem., 2007)

Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations. - Eiji Tsuchida; Yoong-Kee Choe (Comput. Phys. Commun., 2012)