Takao Tsuneda

According to our database, Takao Tsuneda authored at least 13 papers between 2001 and 2023.

Collaborative distances:

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

2023

Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry.

Takao Tsuneda, Hiroki Sumitomo, Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu

J. Comput. Chem., January, 2023

Total and orbital density-based analyses of molecules revealing long-range interaction regions.

Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, Takao Tsuneda

J. Comput. Chem., 2023

2019

Theoretical investigations on geometrical and electronic structures of silver clusters.

Takao Tsuneda

J. Comput. Chem., 2019

2017

On low-lying excited states of extended nanographenes.

Takao Tsuneda, Raman K. Singh, Ayako Nakata

J. Comput. Chem., 2017

2016

Relationship between orbital energy gaps and excitation energies for long-chain systems.

Takao Tsuneda, Raman K. Singh, Ayako Nakata

J. Comput. Chem., 2016

Orbital Energy-Based Reaction Analysis of S_N2 Reactions.

Takao Tsuneda, Satoshi Maeda, Yu Harabuchi, Raman K. Singh

Comput., 2016

2014

Reactivity index based on orbital energies.

Takao Tsuneda, Raman K. Singh

J. Comput. Chem., 2014

2013

Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

Raman K. Singh, Takao Tsuneda

J. Comput. Chem., 2013

2009

Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations.

Ayako Nakata, Takao Tsuneda, Kimihiko Hirao

J. Comput. Chem., 2009

2008

A dual-level state-specific time-dependent density-functional theory.

Seiken Tokura, Takeshi Sato, Takao Tsuneda, Takahito Nakajima, Kimihiko Hirao

J. Comput. Chem., 2008

2003

Regional self-interaction correction of density functional theory.

Takao Tsuneda, Muneaki Kamiya, Kimihiko Hirao

J. Comput. Chem., 2003

UTChem - A Program for ab initio Quantum Chemistry.

Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao

Proceedings of the Computational Science - ICCS 2003, 2003

2001

Investigation of the use of density functionals in second- and third-row transition metal dimer calculations.

Susumu Yanagisawa, Takao Tsuneda, Kimihiko Hirao

J. Comput. Chem., 2001