Hiroshi Nakatsuji

According to our database, Hiroshi Nakatsuji authored at least 15 papers between 2001 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2019

Photoelectron spectrum of NO2-: SAC-CI gradient study of vibrational-rotational structures.

Tomoo Miyahara, Hiroshi Nakatsuji

J. Comput. Chem., 2019

2013

XPS of oxygen atoms on Ag(111) and Ag(110) surfaces: Accurate study with SAC/SAC-CI combined with dipped adcluster model.

Atsushi Ishikawa, Hiroshi Nakatsuji

J. Comput. Chem., 2013

2012

Poster: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer.

Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji

Proceedings of the 2012 SC Companion: High Performance Computing, 2012

Abstract: Solving the Schrödinger and Dirac Equations of Atoms and Molecules with Massively Parallel Computer.

Hiroyuki Nakashima, Atsushi Ishikawa, Yusaku I. Kurokawa, Hiroshi Nakatsuji

Proceedings of the 2012 SC Companion: High Performance Computing, 2012

2011

Electronic excited states of macrocyclic compounds: direct SAC-CI study.

Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji

Proceedings of the International Conference on Computational Science, 2011

2009

A multicore QM/MM approach for the geometry optimization of chromophore aggregate in protein.

Yasuomi Kiyota, Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Hiroshi Nakatsuji

J. Comput. Chem., 2009

2007

Excitation and circular dichroism spectra of (-)-(3a<i>S</i>, 7a<i>S</i>)-2-chalcogena-<i>trans</i>-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations.

Yasushi Honda, Atsushi Kurihara, Masahiko Hada, Hiroshi Nakatsuji

J. Comput. Chem., 2007

Excited states of GFP chromophore and active site studied by the SAC-CI method: Effect of protein-environment and mutations.

Jun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, Tomoo Miyahara, Hiroshi Nakatsuji

J. Comput. Chem., 2007

2006

On the O2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes.

Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji

J. Comput. Chem., 2006

On the reversible O2 binding of the Fe-porphyrin complex.

Hiroyuki Nakashima, Jun-Ya Hasegawa, Hiroshi Nakatsuji

J. Comput. Chem., 2006

2003

Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study.

Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji

J. Comput. Chem., 2003

2001

Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: ab initio theoretical study.

Yuhki Ohtsuka, Kazufumi Ohkawa, Hiroshi Nakatsuji

J. Comput. Chem., 2001

Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone.

Hiroyuki Ito, Hiroshi Nakatsuji

J. Comput. Chem., 2001

Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.

Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji

J. Comput. Chem., 2001

Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4).

Shuhei Fukawa, Masahiko Hada, Ryoichi Fukuda, Shinji Tanaka, Hiroshi Nakatsuji

J. Comput. Chem., 2001