 | 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) |
