Takeshi Yoshikawa
Toho University
H-index: 14
Asia-Japan
Top articles of Takeshi Yoshikawa
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Unveiling controlling factors of the S0/S1 minimum-energy conical intersection (3): Frozen orbital analysis based on the spin-flip theory | The Journal of Chemical Physics | Takeshi Yoshikawa Yasuhiro Ikabata Hiromi Nakai Kentaro Ogawa Ken Sakata | 2023/5/28 |
Iridium-Catalyzed Branch-Selective Hydroalkylation of Simple Alkenes with Malonic Amides and Malonic Esters | The Journal of Organic Chemistry | Takahiro Sawano Masaki Ono Ami Iwasa Masaya Hayase Juri Funatsuki | 2023/1/13 |
Divide-and-Conquer Linear-Scaling Quantum Chemical Computations | Hiromi Nakai Masato Kobayashi Takeshi Yoshikawa Junji Seino Yasuhiro Ikabata | 2023/1/11 | |
Catalytic Ammonia Oxidation Using Ammonia Solution under Electrochemical Conditions: Investigation on Axial Ligand of Ruthenium Catalysts | Bulletin of the Chemical Society of Japan | Hiroki Toda Kaito Kuroki Ryoichi Kanega Tasuku Yano Takeshi Yoshikawa | 2023/9 |
Quantum Chemical Study of the Cycloaddition Reaction of Tropone with 1,1-Diethoxyethene Catalyzed by B(C6F5)3 or BPh3 | ACS omega | Ken Sakata Sarina Suzuki Tsubasa Sugimoto Takeshi Yoshikawa | 2023/8/8 |
Effect of propargylic substituents on enantioselectivity and reactivity in ruthenium-catalyzed propargylic substitution reactions: a DFT study | ACS omega | Ken Sakata Yuuri Uehara Shiona Kohara Takeshi Yoshikawa Yoshiaki Nishibayashi | 2022/10/4 |
Quantum algorithm of the divide-and-conquer unitary coupled cluster method with a variational quantum eigensolver | Journal of chemical theory and computation | Takeshi Yoshikawa Tomoya Takanashi Hiromi Nakai | 2022/8/4 |
Enantioselectivity in Ruthenium‐Catalyzed Propargylic Substitution Reactions of Propargylic Alcohols with Acetone: A DFT Study | Chemistry–An Asian Journal | Ken Sakata Yui Goto Takeshi Yoshikawa Yoshiaki Nishibayashi | 2021/11/15 |
Trajectory surface hopping approach to condensed-phase nonradiative relaxation dynamics using divide-and-conquer spin-flip time-dependent density-functional tight binding | Journal of chemical theory and computation | Hiroki Uratani Takeshi Yoshikawa Hiromi Nakai | 2021/2/12 |
動的分極率による励起状態計算へ向けた量子アルゴリズム qUCC-LR 開発 | Journal of Computer Chemistry, Japan | 高梨倫哉， 吉川武司， 中井浩巳 | 2021 |
Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems | The Journal of Chemical Physics | Takeshi Yoshikawa Hiromi Nakai | 2020/6/28 |
Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications | Journal of computational chemistry | Mayu Inamori Takeshi Yoshikawa Yasuhiro Ikabata Yoshifumi Nishimura Hiromi Nakai | 2020/6/15 |
Unveiling controlling factors of the S/S1 minimum energy conical intersection (2): Application to penalty function method | The Journal of Chemical Physics | Mayu Inamori Yasuhiro Ikabata Takeshi Yoshikawa Hiromi Nakai | 2020/4/14 |
Large-scale molecular dynamics simulation for ground and excited states based on divide-and-conquer long-range corrected density-functional tight-binding method | Journal of chemical theory and computation | Nana Komoto Takeshi Yoshikawa Yoshifumi Nishimura Hiromi Nakai | 2020/2/19 |
Fast nonadiabatic molecular dynamics via spin-flip time-dependent density-functional tight-binding approach: Application to nonradiative relaxation of tetraphenylethylene with … | Journal of chemical theory and computation | Hiroki Uratani Toshiki Morioka Takeshi Yoshikawa Hiromi Nakai | 2020/11/16 |
Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method | The Journal of Chemical Physics | Takeshi Yoshikawa Jyunya Yoshihara Hiromi Nakai | 2020/1/14 |
Machine-learned electron correlation model based on frozen core approximation | The Journal of Chemical Physics | Yasuhiro Ikabata Ryo Fujisawa Junji Seino Takeshi Yoshikawa Hiromi Nakai | 2020/11/14 |
Co-Authors
