2007 |
3 | EE | Yuto Komeiji,
Toyokazu Ishida,
Dmitri G. Fedorov,
Kazuo Kitaura:
Change in a protein's electronic structure induced by an explicit solvent: An ab initio fragment molecular orbital study of ubiquitin.
Journal of Computational Chemistry 28(10): 1750-1762 (2007) |
2 | EE | 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) |
2005 |
1 | EE | Tsutomu Ikegami,
Toyokazu Ishida,
Dmitri G. Fedorov,
Kazuo Kitaura,
Yuichi Inadomi,
Hiroaki Umeda,
Mitsuo Yokokawa,
Satoshi Sekiguchi:
Full Electron Calculation Beyond 20, 000 Atoms: Ground Electronic State of Photosynthetic Proteins.
SC 2005: 10 |