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ORCIDHiroshi Nakatsuji
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2010 – 2019
- 2019
[j12]Tomoo Miyahara
, Hiroshi Nakatsuji:
Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures. J. Comput. Chem. 40(2): 360-374 (2019)- 2013
- [j11]Atsushi Ishikawa, Hiroshi Nakatsuji:
XPS of oxygen atoms on Ag(111) and Ag(110) surfaces: Accurate study with SAC/SAC-CI combined with dipped adcluster model. J. Comput. Chem. 34(21): 1828-1834 (2013) - 2012
- [c3]Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji:
Abstract: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer. SC Companion 2012: 1393 - [c2]Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji:
Poster: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer. SC Companion 2012: 1394 - 2011
- [c1]Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji:
Electronic excited states of macrocyclic compounds: direct SAC-CI study. ICCS 2011: 1129-1134
2000 – 2009
- 2009
- [j10]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. J. Comput. Chem. 30(8): 1351-1359 (2009) - 2007
- [j9]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. J. Comput. Chem. 28(15): 2443-2452 (2007) - [j8]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. J. Comput. Chem. 29(4): 612-621 (2007) - 2006
- [j7]Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji:
On the reversible O2 binding of the Fe-porphyrin complex. J. Comput. Chem. 27(4): 426-433 (2006) - [j6]Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji:
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes. J. Comput. Chem. 27(12): 1363-1372 (2006) - 2003
- [j5]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. J. Comput. Chem. 24(12): 1421-1431 (2003) - 2001
- [j4]Hiroyuki Ito, Hiroshi Nakatsuji:
Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone. J. Comput. Chem. 22(3): 265-272 (2001) - [j3]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. J. Comput. Chem. 22(5): 521-527 (2001) - [j2]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). J. Comput. Chem. 22(5): 528-536 (2001) - [j1]Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji:
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts. J. Comput. Chem. 22(13): 1502-1508 (2001)
Coauthor Index
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