2008 |
10 | EE | Seiken Tokura,
Takeshi Sato,
Takao Tsuneda,
Takahito Nakajima,
Kimihiko Hirao:
A dual-level state-specific time-dependent density-functional theory.
Journal of Computational Chemistry 29(8): 1187-1197 (2008) |
2006 |
9 | EE | Ram Kinkar Roy,
V. Usha,
Bhisma K. Patel,
Kimihiko Hirao:
Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity descriptors.
Journal of Computational Chemistry 27(6): 773-780 (2006) |
2003 |
8 | EE | Takeshi Yanai,
Haruyuki Nakano,
Takahito Nakajima,
Takao Tsuneda,
So Hirata,
Yukio Kawashima,
Yoshihide Nakao,
Muneaki Kamiya,
Hideo Sekino,
Kimihiko Hirao:
UTChem - A Program for ab initio Quantum Chemistry.
International Conference on Computational Science 2003: 84-95 |
7 | EE | Henryk A. Witek,
Haruyuki Nakano,
Kimihiko Hirao:
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.
Journal of Computational Chemistry 24(12): 1390-1400 (2003) |
6 | EE | Takao Tsuneda,
Muneaki Kamiya,
Kimihiko Hirao:
Regional self-interaction correction of density functional theory.
Journal of Computational Chemistry 24(13): 1592-1598 (2003) |
2002 |
5 | EE | Henryk A. Witek,
Yoong-Kee Choe,
James P. Finley,
Kimihiko Hirao:
Intruder state avoidance multireference Møller-Plesset perturbation theory.
Journal of Computational Chemistry 23(10): 957-965 (2002) |
4 | EE | Haruyuki Nakano,
Ryuma Uchiyama,
Kimihiko Hirao:
Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
Journal of Computational Chemistry 23(12): 1166-1175 (2002) |
3 | EE | Takahito Nakajima,
Takeshi Yanai,
Kimihiko Hirao:
Relativistic electronic structure theory.
Journal of Computational Chemistry 23(8): 847-860 (2002) |
2001 |
2 | EE | Susumu Yanagisawa,
Takao Tsuneda,
Kimihiko Hirao:
Investigation of the use of density functionals in second- and third-row transition metal dimer calculations.
Journal of Computational Chemistry 22(16): 1995-2009 (2001) |
2000 |
1 | EE | Yoshinao Nakagawa,
Nobuo Tajima,
Kimihiko Hirao:
A theoretical study of catalytic hydration reactions of ethylene.
Journal of Computational Chemistry 21(14): 1292-1304 (2000) |