Hiroshi Nakatsuji

15 papers Misc 1Journal 12Unranked 2
YearRankTypeTitle / Venue / Authors
2019 J jnl
Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures.
J. Comput. Chem.
Tomoo Miyahara, Hiroshi Nakatsuji
2013 J jnl
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.
Atsushi Ishikawa, Hiroshi Nakatsuji
2012 — conf
Abstract: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer.
SC Companion
Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji
2012 — conf
Poster: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer.
SC Companion
Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji
2011 Misc conf
Electronic excited states of macrocyclic compounds: direct SAC-CI study.
ICCS
Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
2009 J jnl
A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein.
J. Comput. Chem.
Yasuomi Kiyota, Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Hiroshi Nakatsuji
2007 J jnl
Excitation and circular dichroism spectra of (-)-(3a
J. Comput. Chem.
Yasushi Honda, Atsushi Kurihara, Masahiko Hada, Hiroshi Nakatsuji
2007 J jnl
Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations.
J. Comput. Chem.
Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Tomoo Miyahara, Hiroshi Nakatsuji
2006 J jnl
On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes.
J. Comput. Chem.
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
2006 J jnl
On the reversible O2 binding of the Fe-porphyrin complex.
J. Comput. Chem.
Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji
2003 J jnl
Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study.
J. Comput. Chem.
Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji
2001 J jnl
Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: ab initio theoretical study.
J. Comput. Chem.
Yuhki Ohtsuka, Kazufumi Ohkawa, Hiroshi Nakatsuji
2001 J jnl
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.
J. Comput. Chem.
Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji
2001 J jnl
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.
Shuhei Fukawa, Masahiko Hada, Ryoichi Fukuda, Shinji Tanaka, Hiroshi Nakatsuji
2001 J jnl
Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone.
J. Comput. Chem.
Hiroyuki Ito, Hiroshi Nakatsuji