 | 2011 |
| 9 |  | Michio Katouda,
Masato Kobayashi,
Hiromi Nakai,
Shigeru Nagase:
Two-level hierarchical parallelization of second-order Møller-plesset perturbation calculations in divide-and-conquer method.
Journal of Computational Chemistry 32(13): 2756-2764 (2011) |
| 2010 |
| 8 |  | Anuja P. Rahalkar,
Michio Katouda,
Shridhar R. Gadre,
Shigeru Nagase:
Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method.
Journal of Computational Chemistry 31(13): 2405-2418 (2010) |
| 2007 |
| 7 |  | Kazuya Ishimura,
Peter Pulay,
Shigeru Nagase:
New parallel algorithm for MP2 energy gradient calculations.
Journal of Computational Chemistry 28(12): 2034-2042 (2007) |
| 6 |  | Yoong-Kee Choe,
Shigeru Nagase,
Kichisuke Nishimoto:
Theoretical study of the electronic spectra of oxidized and reduced states of lumiflavin and its derivative.
Journal of Computational Chemistry 28(4): 727-739 (2007) |
| 5 |  | Dmitri G. Fedorov,
Kazuya Ishimura,
Toyokazu Ishida,
Kazuo Kitaura,
Peter Pulay,
Shigeru Nagase:
Accuracy of the three-body fragment molecular orbital method applied to Møller-Plesset perturbation theory.
Journal of Computational Chemistry 28(9): 1476-1484 (2007) |
| 2006 |
| 4 |  | Kazuya Ishimura,
Peter Pulay,
Shigeru Nagase:
A new parallel algorithm of MP2 energy calculations.
Journal of Computational Chemistry 27(4): 407-413 (2006) |
| 2005 |
| 3 |  | Yoong-Kee Choe,
Shigeru Nagase:
Effect of the axial cysteine ligand on the electronic structure and reactivity of high-valent iron(IV) oxo-porphyrins (Compound I): A theoretical study.
Journal of Computational Chemistry 26(15): 1600-1611 (2005) |
| 2001 |
| 2 |  | Kaoru Kobayashi,
Yuko Sano,
Shigeru Nagase:
Theoretical study of endohedral metallofullerenes: Sc3-nLanN@C80 (n=0-3).
Journal of Computational Chemistry 22(13): 1353-1358 (2001) |
| 1998 |
| 1 |  | Shigeru Nagase,
Kaoru Kobayashi,
Takeshi Akasaka:
Recent advances in the structural determination of endohedral metallofullerenes.
Journal of Computational Chemistry 19(2): 232-239 (1998) |