Takeshi Yanai

发表

Donor–acceptor–acceptor-type near-infrared fluorophores that contain dithienophosphole oxide and boryl groups: effect of the boryl group on the nonradiative decay

Takeshi Imamura, T. Baumgartner, R. Kawakami, 2021, Chemical science.

Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints

K. Fujimoto, Takeshi Yanai, Shota Minami, 2022, ACS omega.

5-Thiaporphyrinium cation: effect of sulphur incorporation on excited state dynamics.

Dongho Kim, H. Shinokubo, Seongsoo Kang, 2022, Chemical communications.

Determination of FRET orientation factor between artificial fluorophore and photosynthetic light-harvesting 2 complex (LH2)

K. Fujimoto, Takehisa Dewa, Takeshi Yanai, 2022, Scientific Reports.

A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals.

Masaaki Saitow, Takeshi Yanai, Kazuma Uemura, 2022, The Journal of chemical physics.

Planarization of a Bowl-Shaped Molecule by Triple-Decker Stacking

H. Shinokubo, Q. Phung, N. Fukui, 2022, SSRN Electronic Journal.

3,4-Dibromo-7-Azaindole Modulates Arabidopsis Circadian Clock by Inhibiting Casein Kinase 1 Activity

N. Nakamichi, T. Kinoshita, K. Fujimoto, 2019, Plant & cell physiology.

Phosphorylation of RNA Polymerase II by CDKC;2 Maintains the Arabidopsis Circadian Clock Period

T. Hirota, S. Kay, N. Nakamichi, 2022, Plant & cell physiology.

Impact of Hydrophobic/Hydrophilic Balance on Aggregation Pathways, Morphologies, and Excited-State Dynamics of Amphiphilic Diketopyrrolopyrrole Dyes in Aqueous Media.

K. Fujimoto, H. Miyasaka, Hikaru Sotome, 2022, Journal of the American Chemical Society.

Desulfonylative Coupling of Alkylsulfones with gem-Difluoroalkenes by Visible-Light Photoredox Catalysis

C. Crudden, Masakazu Nambo, Naoto Inai, 2022, ACS Catalysis.

A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives

Abhik Ghosh, Q. Phung, Takeshi Yanai, 2021, JACS Au.

Thermally Stable Array of Discrete C60s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure.

Kentaro Tanaka, Shin‐ichiro Kawano, M. Nakaya, 2022, Journal of the American Chemical Society.

In Silico Analysis and Synthesis of Nafamostat Derivatives and Evaluation of Their Anti-SARS-CoV-2 Activity

T. Murata, K. Fujimoto, Yoshitaka Sato, 2022, Viruses.

Molecular Mechanism of Spectral Tuning by Chloride Binding in Monkey Green Sensitive Visual Pigment.

K. Fujimoto, K. Katayama, H. Kandori, 2023, The journal of physical chemistry letters.

Spectral Tuning Mechanism of Photosynthetic Light-Harvesting Complex II Revealed by Ab Initio Dimer Exciton Model.

K. Fujimoto, Takeshi Yanai, Takumi Minoda, 2021, The journal of physical chemistry. B.

Substituent and Solvent Effects on the Photoisomerization of Cinnamate Derivatives: An XMS-CASPT2 Study.

Yukihiro Okuno, Naoto Inai, Takeshi Yanai, 2022, The journal of physical chemistry. A.

Multireference Perturbation Theory Combined with PCM and RISM Solvation Models: A Benchmark Study for Chemical Energetics.

D. Yokogawa, Masaaki Saitow, R. Shimizu, 2021, The journal of physical chemistry. A.

Artificial neural network encoding of molecular wavefunctions for quantum computing

K. Tsuda, M. Sugiyama, Takeshi Yanai, 2023, Digital Discovery.

Local N-electron valence state perturbation theory using pair-natural orbitals based on localized virtual molecular orbitals.

Masaaki Saitow, Takeshi Yanai, Kazuma Uemura, 2023, The Journal of chemical physics.

Discovery of 2,6-Dihalopurines as Stomata Opening Inhibitors: Implication of an LRX-Mediated H+-ATPase Phosphorylation Pathway.

T. Kinoshita, K. Fujimoto, K. Itami, 2023, ACS chemical biology.

Fluorescent Organic π-Radicals Stabilized with Boron: Featuring a SOMO-LUMO Electronic Transition.

Masato M. Ito, H. Kita, K. Fujimoto, 2022, Angewandte Chemie.

A quantum chemical study on the anti-SARS-CoV-2 activity of TMPRSS2 inhibitors.

K. Fujimoto, A. Kondo, Takeshi Yanai, 2023, Physical chemistry chemical physics : PCCP.

Spectral Tuning and Excitation-Energy Transfer by Unique Carotenoids in Diatom Light-Harvesting Antenna.

Takeshi Yanai, Takumi Minoda, Kazuhiro J Fujimoto, 2024, Journal of the American Chemical Society.

Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals.

Masaaki Saitow, Takeshi Yanai, Kazuma Uemura, 2024, The Journal of chemical physics.

Extended theoretical modeling of reverse intersystem crossing for thermally activated delayed fluorescence materials

Takuma Yasuda, Naoto Inai, Takeshi Yanai, 2024, Science advances.