Takashi Kawakami

Osaka University of Economics — Japan

Materials Science · Physical Sciences

30h-index4.4kcitations298works1.32yr avg
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Research Topics

Magnetism in coordination complexes(123), Advanced Chemical Physics Studies(72), Organic and Molecular Conductors Research(53), Spectroscopy and Quantum Chemical Studies(38), Electron Spin Resonance Studies(38)

Publications298 total

Quantum Chemistry of Strongly Correlated Electron Systems: Quantum Coherence of Open-Shell Molecular Systems Constructed by Chemical Methods: Organometallic Conjugation and Confinement
Quantum Reports·2026Open Access
Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology
Chemistry·2025Open Access
Transition-state search algorithm based on deep reinforcement learning
Chemistry Letters·2025
Theoretical investigation of hydroamination of alkenes with aqueous ammonia by Pt/TiO2 photocatalyst
Chemistry Letters·2025
Quantum Mechanical Approaches to Strongly Correlated Electron Systems: Structure, Bonding, and Properties of Diradicals, Triradicals, and Polyradicals
Chemistry·2025· 2 citedOpen Access
Realization of a spin-1/2 Kondo necklace model with magnetic field-induced coupling switch
Physical Review Research·2025· 5 citedOpen Access
Theoretical Investigation of the Variations in Co Oxidation Activity of Au/Zno Catalysts Under Different Pretreatment Conditions
SSRN Electronic Journal·2025Open Access
Similarity between oxygen evolution in photosystem II and oxygen reduction in cytochrome c oxidase via proton coupled electron transfers. A unified view of the oxygenic life from four electron oxidation–reduction reactions
Photochemical & Photobiological Sciences·2024Open Access
Solvent extraction of selenium in nitric acid: evaluation of multiple extractants and proposal of a novel separation process
Journal of Radioanalytical and Nuclear Chemistry·2024· 1 cited
Theoretical investigation of CO oxidation over polyoxometalate-supported Au cluster catalyst
Journal of Catalysis·2024· 6 citedOpen Access
Theoretical Investigation of Propylene Epoxidation Using H2 and O2 Over Titanosilicate-Supported Au Catalysts
Catalysis Letters·2024· 2 citedOpen Access
Theoretical investigation of allyl alcohol isomerization over NiO-supported Au catalysts
Chemistry Letters·2024Open Access
Quantum spin state stabilized by coupling with classical spins
Physical review. B./Physical review. B·2024· 2 citedOpen Access
CCDC 985033: Experimental Crystal Structure Determination
The Cambridge Structural Database·2024Open Access
Theoretical elucidation of the structure, bonding, and reactivity of the CaMn4Ox clusters in the whole Kok cycle for water oxidation embedded in the oxygen evolving center of photosystem II. New molecular and quantum insights into the mechanism of the O–O bond formation
Photosynthesis Research·2023· 5 citedOpen Access
The Nature of the Chemical Bonds of High-Valent Transition–Metal Oxo (M=O) and Peroxo (MOO) Compounds: A Historical Perspective of the Metal Oxyl–Radical Character by the Classical to Quantum Computations
Molecules·2023· 4 citedOpen Access
Theoretical Study on TiOOH Production over Au/TiO2 Catalyst —Support Dependency of Propylene Oxide Production—
Chemistry Letters·2023· 3 citedOpen Access
<i>Ab-initio</i> Study of the Strain Tuning Method for Improving Li Diffusion Performance of the LiCoO<sub>2</sub> Cathode Material in Lithium-ion Batteries
Chemistry Letters·2023· 2 cited
Spin-Peierls transition to a Haldane phase
Physical review. B./Physical review. B·2023· 4 citedOpen Access
Improved Mechanical Characterization of LiCoO2 Cathode Material by <i>Ab-Initio</i> Calculations Using Density Functional Theory
Bulletin of the Chemical Society of Japan·2023· 1 cited
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Frequent Co-authors

Kizashi Yamaguchi(41), Mitsutaka Okumura(27), Shusuke Yamanaka(22), Yasutaka Kitagawa(20), Tôru Saitô(17), Mitsuo Shoji(13), Hiroshi Isobe(11), Kenichi Koizumi(10), Yasutaka Kitagawa(8), Yusuke Kataoka(8), Yasuyuki Nakanishi(7), Yu Takano(6), Satoru Yamada(6), Yasunori Yoshioka(5), Satomichi Nishihara(5), Y. Kitagawa(4), Wasuke Mori(4), Toru Matsui(3), Hironori Yamaguchi(3), Kenji Iwase(3)