2009 |
10 | EE | Yasuomi Kiyota,
Jun-Ya Hasegawa,
Kazuhiro Fujimoto,
Ben Swerts,
Hiroshi Nakatsuji:
A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein.
Journal of Computational Chemistry 30(8): 1351-1359 (2009) |
2007 |
9 | EE | Jun-Ya Hasegawa,
Kazuhiro Fujimoto,
Ben Swerts,
Tomoo Miyahara,
Hiroshi Nakatsuji:
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations.
Journal of Computational Chemistry 28(15): 2443-2452 (2007) |
8 | EE | Yasushi Honda,
Atsushi Kurihara,
Masahiko Hada,
Hiroshi Nakatsuji:
Excitation and circular dichroism spectra of (-)-(3aS, 7aS)-2-chalcogena-trans-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations.
Journal of Computational Chemistry 29(4): 612-621 (2007) |
2006 |
7 | EE | Hiroyuki Nakashima,
Jun-Ya Hasegawa,
Hiroshi Nakatsuji:
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes.
Journal of Computational Chemistry 27(12): 1363-1372 (2006) |
6 | EE | Hiroyuki Nakashima,
Jun-Ya Hasegawa,
Hiroshi Nakatsuji:
On the reversible O2 binding of the Fe-porphyrin complex.
Journal of Computational Chemistry 27(4): 426-433 (2006) |
2003 |
5 | EE | Abhijit K. Das,
Jun-Ya Hasegawa,
Tomoo Miyahara,
Masahiro Ehara,
Hiroshi Nakatsuji:
Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study.
Journal of Computational Chemistry 24(12): 1421-1431 (2003) |
2001 |
4 | EE | Masahiko Hada,
Jian Wan,
Ryoichi Fukuda,
Hiroshi Nakatsuji:
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.
Journal of Computational Chemistry 22(13): 1502-1508 (2001) |
3 | EE | Hiroyuki Ito,
Hiroshi Nakatsuji:
Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone.
Journal of Computational Chemistry 22(3): 265-272 (2001) |
2 | EE | Yuhki Ohtsuka,
Kazufumi Ohkawa,
Hiroshi Nakatsuji:
Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: ab initio theoretical study.
Journal of Computational Chemistry 22(5): 521-527 (2001) |
1 | EE | Shuhei Fukawa,
Masahiko Hada,
Ryoichi Fukuda,
Shinji Tanaka,
Hiroshi Nakatsuji:
Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4).
Journal of Computational Chemistry 22(5): 528-536 (2001) |