Hiroshi Nakatsuji

Publication Activity (10 Years)

Years Active: 2001-2019
Publications (10 Years): 1

Top Topics

Hamilton Jacobi

Empirical Studies

Top Venues

J. Comput. Chem.

Publications

Tomoo Miyahara, Hiroshi Nakatsuji
Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures. J. Comput. Chem. 40 (2) (2019)
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) (2013)
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)
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)
Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
Electronic excited states of macrocyclic compounds: direct SAC-CI study. ICCS (2011)
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) (2009)
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) (2007)
Yasushi Honda, Atsushi Kurihara, Masahiko Hada, Hiroshi Nakatsuji
-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations. J. Comput. Chem. 29 (4) (2007)
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) (2006)
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
On the reversible O2 binding of the Fe-porphyrin complex. J. Comput. Chem. 27 (4) (2006)
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) (2003)
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) (2001)
Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts. J. Comput. Chem. 22 (13) (2001)
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) (2001)
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) (2001)