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Takao Tsuneda
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2020 – today
- 2023
- [j12]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): 93-104 (2023) - [j11]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): 2391-2403 (2023)
2010 – 2019
- 2019
- [j10]Takao Tsuneda:
Theoretical investigations on geometrical and electronic structures of silver clusters. J. Comput. Chem. 40(1): 206-211 (2019) - 2017
- [j9]Takao Tsuneda, Raman K. Singh, Ayako Nakata:
On low-lying excited states of extended nanographenes. J. Comput. Chem. 38(23): 2020-2029 (2017) - 2016
- [j8]Takao Tsuneda, Satoshi Maeda, Yu Harabuchi, Raman K. Singh:
Orbital Energy-Based Reaction Analysis of SN2 Reactions. Comput. 4(3): 23 (2016) - [j7]Takao Tsuneda, Raman K. Singh, Ayako Nakata:
Relationship between orbital energy gaps and excitation energies for long-chain systems. J. Comput. Chem. 37(16): 1451-1462 (2016) - 2014
- [j6]Takao Tsuneda, Raman K. Singh:
Reactivity index based on orbital energies. J. Comput. Chem. 35(14): 1093-1100 (2014) - 2013
- [j5]Raman K. Singh, Takao Tsuneda:
Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions. J. Comput. Chem. 34(5): 379-386 (2013)
2000 – 2009
- 2009
- [j4]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): 2583-2593 (2009) - 2008
- [j3]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): 1187-1197 (2008) - 2003
- [j2]Takao Tsuneda, Muneaki Kamiya, Kimihiko Hirao:
Regional self-interaction correction of density functional theory. J. Comput. Chem. 24(13): 1592-1598 (2003) - [c1]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: 84-95 - 2001
- [j1]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): 1995-2009 (2001)
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