Takao Tsuneda

13 papers Misc 1Journal 12
YearRankTypeTitle / Venue / Authors
2023 J jnl
Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry.
J. Comput. Chem.
Takao Tsuneda, Hiroki Sumitomo, Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu
2023 J jnl
Total and orbital density-based analyses of molecules revealing long-range interaction regions.
J. Comput. Chem.
Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, Takao Tsuneda
2019 J jnl
Theoretical investigations on geometrical and electronic structures of silver clusters.
J. Comput. Chem.
Takao Tsuneda
2017 J jnl
On low-lying excited states of extended nanographenes.
J. Comput. Chem.
Takao Tsuneda, Raman K. Singh, Ayako Nakata
2016 J jnl
Orbital Energy-Based Reaction Analysis of S
Comput.
Takao Tsuneda, Satoshi Maeda, Yu Harabuchi, Raman K. Singh
2016 J jnl
Relationship between orbital energy gaps and excitation energies for long-chain systems.
J. Comput. Chem.
Takao Tsuneda, Raman K. Singh, Ayako Nakata
2014 J jnl
Reactivity index based on orbital energies.
J. Comput. Chem.
Takao Tsuneda, Raman K. Singh
2013 J jnl
Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.
J. Comput. Chem.
Raman K. Singh, Takao Tsuneda
2009 J jnl
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations.
J. Comput. Chem.
Ayako Nakata, Takao Tsuneda, Kimihiko Hirao
2008 J jnl
A dual-level state-specific time-dependent density-functional theory.
J. Comput. Chem.
Seiken Tokura, Takeshi Sato, Takao Tsuneda, Takahito Nakajima, Kimihiko Hirao
2003 J jnl
Regional self-interaction correction of density functional theory.
J. Comput. Chem.
Takao Tsuneda, Muneaki Kamiya, Kimihiko Hirao
2003 Misc conf
UTChem - A Program for ab initio Quantum Chemistry.
International Conference on Computational Science
Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao
2001 J jnl
Investigation of the use of density functionals in second- and third-row transition metal dimer calculations.
J. Comput. Chem.
Susumu Yanagisawa, Takao Tsuneda, Kimihiko Hirao