Takeshi Yanai

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 44

Top Topics

Diabetic Retinopathy

Molecular Dynamics

Energy Transfer

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

ACS chemical biology

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society (2024)
Lukas-Maximilian Entgelmeier, Soichiro Mori, Shion Sendo, Rie Yamaguchi, Ryuhei Suzuki, Takeshi Yanai, Olga García Mancheño, Kohsuke Ohmatsu, Takashi Ooi
Zwitterionic Acridinium Amidate: A Nitrogen-Centered Radical Catalyst for Photoinduced Direct Hydrogen Atom Transfer. Angewandte Chemie (International ed. in English) (2024)
Izumi Hattori, Masaya Hagai, Masato Ito, Mika Sakai, Hiroki Narita, Kazuhiro J Fujimoto, Takeshi Yanai, Shigehiro Yamaguchi
In Silico Screening and Experimental Verification of Near-Infrared-Emissive Two-Boron-Doped Polycyclic Aromatic Hydrocarbons. Angewandte Chemie (International ed. in English) (2024)
Masaya Hagai, Naoto Inai, Takuma Yasuda, Kazuhiro J Fujimoto, Takeshi Yanai
Extended theoretical modeling of reverse intersystem crossing for thermally activated delayed fluorescence materials. Science advances 10 (5) (2024)
Kazuhiro J Fujimoto, Yuta A Tsuzuki, Keiichi Inoue, Takeshi Yanai
Molecular Mechanisms behind Circular Dichroism Spectral Variations between Channelrhodopsin and Heliorhodopsin Dimers. The journal of physical chemistry letters (2024)
Kazuhiro J Fujimoto, Yuta A Tsuzuki, Keiichi Inoue, Takeshi Yanai
Molecular Mechanisms behind Circular Dichroism Spectral Variations between Channelrhodopsin and Heliorhodopsin Dimers. The journal of physical chemistry letters 15 (21) (2024)
Izumi Hattori, Masaya Hagai, Masato Ito, Mika Sakai, Hiroki Narita, Kazuhiro J Fujimoto, Takeshi Yanai, Shigehiro Yamaguchi
In Silico Screening and Experimental Verification of Near-Infrared-Emissive Two-Boron-Doped Polycyclic Aromatic Hydrocarbons. Angewandte Chemie (International ed. in English) 63 (22) (2024)
Kazuhiro J Fujimoto, Yuta A Tsuzuki, Keiichi Inoue, Takeshi Yanai
Molecular Mechanisms behind Circular Dichroism Spectral Variations between Channelrhodopsin and Heliorhodopsin Dimers. The journal of physical chemistry letters 15 (21) (2024)
Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society 146 (6) (2024)
Kazuhiro J Fujimoto, Yuta A Tsuzuki, Keiichi Inoue, Takeshi Yanai
Molecular Mechanisms behind Circular Dichroism Spectral Variations between Channelrhodopsin and Heliorhodopsin Dimers. The journal of physical chemistry letters 15 (21) (2024)
Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society 146 (6) (2024)
Kazuhiro J Fujimoto, Yuta A Tsuzuki, Keiichi Inoue, Takeshi Yanai
Molecular Mechanisms behind Circular Dichroism Spectral Variations between Channelrhodopsin and Heliorhodopsin Dimers. The journal of physical chemistry letters 15 (21) (2024)
Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society 146 (6) (2024)
Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society 146 (6) (2024)
Kazuhiro J Fujimoto, Takuya Seki, Takumi Minoda, Takeshi Yanai
Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna. Journal of the American Chemical Society 146 (6) (2024)
Masaya Hagai, Naoto Inai, Takuma Yasuda, Kazuhiro J Fujimoto, Takeshi Yanai
Extended theoretical modeling of reverse intersystem crossing for thermally activated delayed fluorescence materials. Science advances 10 (5) (2024)
Tsubasa Iino, Toru Shiozaki, Takeshi Yanai
Algorithm for analytic nuclear energy gradients of state averaged DMRG-CASSCF theory with newly derived coupled-perturbed equations. The Journal of chemical physics 158 (5) (2023)
Naoki Noto, Akira Yada, Takeshi Yanai, Susumu Saito
Machine-Learning Classification for the Prediction of Catalytic Activity of Organic Photosensitizers in the Nickel(II)-Salt-Induced Synthesis of Phenols. Angewandte Chemie (International ed. in English) 62 (11) (2023)
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai
Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals. The Journal of chemical physics 158 (15) (2023)
Kazuhiro J Fujimoto, Fumika Minowa, Michiya Nishina, Shunta Nakamura, Sayaka Ohashi, Kota Katayama, Hideki Kandori, Takeshi Yanai
Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment. The journal of physical chemistry letters 14 (7) (2023)
Ayaka Ueda, Yusuke Aihara, Shinya Sato, Keiko Kano, Emi Mishiro-Sato, Hiroyuki Kitano, Ayato Sato, Kazuhiro J Fujimoto, Takeshi Yanai, Kazuma Amaike, Toshinori Kinoshita, Kenichiro Itami
Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H + -ATPase Phosphorylation Pathway. ACS chemical biology 18 (2) (2023)
Ayaka Ueda, Yusuke Aihara, Shinya Sato, Keiko Kano, Emi Mishiro-Sato, Hiroyuki Kitano, Ayato Sato, Kazuhiro J Fujimoto, Takeshi Yanai, Kazuma Amaike, Toshinori Kinoshita, Kenichiro Itami
Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H + -ATPase Phosphorylation Pathway. ACS chemical biology (2023)
Ayaka Ueda, Yusuke Aihara, Shinya Sato, Keiko Kano, Emi Mishiro-Sato, Hiroyuki Kitano, Ayato Sato, Kazuhiro J Fujimoto, Takeshi Yanai, Kazuma Amaike, Toshinori Kinoshita, Kenichiro Itami
Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H + -ATPase Phosphorylation Pathway. ACS chemical biology 18 (2) (2023)
Akihiro Kondo, Kazuhiro J Fujimoto, Takeshi Yanai
A quantum chemical study on the anti-SARS-CoV-2 activity of TMPRSS2 inhibitors. Physical chemistry chemical physics : PCCP (2023)
Conner Masteran, Ashutosh Kumar, Nakul Teke, Bimal Gaudel, Takeshi Yanai, Edward F Valeev
Comment on "Canonical transcorrelated theory with projected Slater-type geminals" [J. Chem. Phys. 136, 084107 (2012)]. The Journal of chemical physics 158 (5) (2023)
Ayaka Ueda, Yusuke Aihara, Shinya Sato, Keiko Kano, Emi Mishiro-Sato, Hiroyuki Kitano, Ayato Sato, Kazuhiro J Fujimoto, Takeshi Yanai, Kazuma Amaike, Toshinori Kinoshita, Kenichiro Itami
Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H + -ATPase Phosphorylation Pathway. ACS chemical biology 18 (2) (2023)
Naoki Noto, Akira Yada, Takeshi Yanai, Susumu Saito
Machine-Learning Classification for the Prediction of Catalytic Activity of Organic Photosensitizers in the Nickel(II)-Salt-Induced Synthesis of Phenols. Angewandte Chemie (International ed. in English) (2023)
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai
Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals. The Journal of chemical physics 158 (15) (2023)
Kazuhiro J Fujimoto, Fumika Minowa, Michiya Nishina, Shunta Nakamura, Sayaka Ohashi, Kota Katayama, Hideki Kandori, Takeshi Yanai
Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment. The journal of physical chemistry letters 14 (7) (2023)
Kazuhiro J Fujimoto, Fumika Minowa, Michiya Nishina, Shunta Nakamura, Sayaka Ohashi, Kota Katayama, Hideki Kandori, Takeshi Yanai
Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment. The journal of physical chemistry letters (2023)
Kazuma Uemura, Masaaki Saitow, Takaki Ishimaru, Takeshi Yanai
Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals. The Journal of chemical physics 158 (15) (2023)
Naoto Inai, Shigehiro Yamaguchi, Takeshi Yanai
Theoretical Insight into the Effect of Phosphorus Oxygenation on Nonradiative Decays: Comparative Analysis of P-Bridged Stilbene Analogs. ACS physical chemistry Au 3 (6) (2023)
Ayaka Ueda, Yusuke Aihara, Shinya Sato, Keiko Kano, Emi Mishiro-Sato, Hiroyuki Kitano, Ayato Sato, Kazuhiro J Fujimoto, Takeshi Yanai, Kazuma Amaike, Toshinori Kinoshita, Kenichiro Itami
Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H + -ATPase Phosphorylation Pathway. ACS chemical biology 18 (2) (2023)
Natsumi Fukaya, Soichiro Ogi, Hikaru Sotome, Kazuhiro J Fujimoto, Takeshi Yanai, Nils Bäumer, Gustavo Fernández, Hiroshi Miyasaka, Shigehiro Yamaguchi
Impact of Hydrophobic/Hydrophilic Balance on Aggregation Pathways, Morphologies, and Excited-State Dynamics of Amphiphilic Diketopyrrolopyrrole Dyes in Aqueous Media. Journal of the American Chemical Society (2022)
Atsuro Nomoto, Naoto Inai, Takeshi Yanai, Yukihiro Okuno
Substituent and Solvent Effects on the Photoisomerization of Cinnamate Derivatives: An XMS-CASPT2 Study. The journal of physical chemistry. A 126 (4) (2022)
Asahi Takiguchi, Naoto Inai, Seongsoo Kang, Masaya Hagai, Seokwon Lee, Takeshi Yanai, Dongho Kim, Hiroshi Shinokubo
5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics. Chemical communications (Cambridge, England) 58 (40) (2022)
Kazuhiro J Fujimoto, Daniel C F Hobbs, Miki Umeda, Akihiro Nagata, Rie Yamaguchi, Yoshitaka Sato, Ayato Sato, Kohsuke Ohmatsu, Takashi Ooi, Takeshi Yanai, Hiroshi Kimura, Takayuki Murata
In Silico Analysis and Synthesis of Nafamostat Derivatives and Evaluation of Their Anti-SARS-CoV-2 Activity. Viruses 14 (2) (2022)
Jakub Chalupský, Martin Srnec, Takeshi Yanai
Interpretation of Exchange Interaction through Orbital Entanglement. The journal of physical chemistry letters 12 (4) (2021)
Naoto Inai, Daisuke Yokogawa, Takeshi Yanai
Investigating the Nonradiative Decay Pathway in the Excited State of Silepin Derivatives: A Study with Second-Order Multireference Perturbation Wavefunction Theory. The journal of physical chemistry. A 125 (2) (2021)
Yoshiaki Sugihara, Naoto Inai, Masayasu Taki, Thomas Baumgartner, Ryosuke Kawakami, Takashi Saitou, Takeshi Imamura, Takeshi Yanai, Shigehiro Yamaguchi
Donor-acceptor-acceptor-type near-infrared fluorophores that contain dithienophosphole oxide and boryl groups: effect of the boryl group on the nonradiative decay. Chemical science 12 (18) (2021)
Jeremy U Davis, Quan Manh Phung, Takeshi Yanai, Masahiro Ehara, Thomas Sommerfeld
Lifetimes of Be32- and Mg32- Cluster Dianions. The journal of physical chemistry. A 125 (17) (2021)
Xiao-Gen Xiong, Akira Sugiura, Takeshi Yanai
Projector Augmented Wave Method with Gauss-Type Atomic Orbital Basis: Implementation of the Generalized Gradient Approximation and Mesh Grid Quadrature. Journal of chemical theory and computation 16 (8) (2020)
Ryosuke Y Shimizu, Takeshi Yanai, Daisuke Yokogawa
Improved RISM-CASSCF Optimization via State-Average Treatment and Damping for Characterizing Excited Molecules in Solution with Multireference Perturbation Theory. Journal of chemical theory and computation 16 (8) (2020)
Peng-Jian Yang, Mahito Sugiyama, Koji Tsuda, Takeshi Yanai
Artificial Neural Networks Applied as Molecular Wave Function Solvers. Journal of chemical theory and computation 16 (6) (2020)