Takao Tsuneda

Publication Activity (10 Years)

Years Active: 2001-2023
Publications (10 Years): 6

Top Topics

Theoretical Foundation

Top Venues

J. Comput. Chem.

Publications

Takao Tsuneda, Hiroki Sumitomo, Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry. J. Comput. Chem. 44 (2) (2023)
Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, Takao Tsuneda
Total and orbital density-based analyses of molecules revealing long-range interaction regions. J. Comput. Chem. 44 (31) (2023)
Takao Tsuneda
Theoretical investigations on geometrical and electronic structures of silver clusters. J. Comput. Chem. 40 (1) (2019)
Takao Tsuneda, Raman K. Singh, Ayako Nakata
On low-lying excited states of extended nanographenes. J. Comput. Chem. 38 (23) (2017)
Takao Tsuneda, Raman K. Singh, Ayako Nakata
Relationship between orbital energy gaps and excitation energies for long-chain systems. J. Comput. Chem. 37 (16) (2016)
Takao Tsuneda, Satoshi Maeda, Yu Harabuchi, Raman K. Singh
2 Reactions. Comput. 4 (3) (2016)
Takao Tsuneda, Raman K. Singh
Reactivity index based on orbital energies. J. Comput. Chem. 35 (14) (2014)
Raman K. Singh, Takao Tsuneda
Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions. J. Comput. Chem. 34 (5) (2013)
Ayako Nakata, Takao Tsuneda, Kimihiko Hirao
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations. J. Comput. Chem. 30 (16) (2009)
Seiken Tokura, Takeshi Sato, Takao Tsuneda, Takahito Nakajima, Kimihiko Hirao
A dual-level state-specific time-dependent density-functional theory. J. Comput. Chem. 29 (8) (2008)
Takao Tsuneda, Muneaki Kamiya, Kimihiko Hirao
Regional self-interaction correction of density functional theory. J. Comput. Chem. 24 (13) (2003)
Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao
UTChem - A Program for ab initio Quantum Chemistry. International Conference on Computational Science (2003)
Susumu Yanagisawa, Takao Tsuneda, Kimihiko Hirao
Investigation of the use of density functionals in second- and third-row transition metal dimer calculations. J. Comput. Chem. 22 (16) (2001)