Catalytic Reaction Mechanism on Metal and Metal Oxide Surface.
Magnetic properties of Metal Complexes and Relativistic Quantum Chemistry
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論文 (138件):
Yuri Katogi, Ayano Okamoto, Masahiko Hada, Hiroshi Fujii. Characterization and Reactivity of an Incredibly Reactive Intermediate in the Protonation Reaction of Dioxo-Manganese(V) Porphyrin with Acid. ACS Catalysis. 2023. 4842-4852
Salmahaminati, Akiko Inagaki, Masahiko Hada, Minori Abe. Density Functional Study on the Photopolymerization of Styrene Using Dinuclear Ru-Pd and Ir-Pd Complexes with Naphthyl-Substituted Ligands. The Journal of Physical Chemistry A. 2023. 127. 12. 2810-2818
Kaito Nomiya, Naoki Nakatani, Naofumi Nakayama, Hitoshi Goto, Masayuki Nakagaki, Shigeyoshi Sakaki, Masaki Yoshida, Masako Kato, Masahiko Hada. Theoretical Study on the Vapochromic Ni(II)-Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching. The Journal of Physical Chemistry A. 2022. 126. 42. 7687-7694
Sawako Yokota, Yuna Suzuki, Sachiko Yanagisawa, Takashi Ogura, Shunsuke Nozawa, Masahiko Hada, Hiroshi Fujii. How Do the Axial and Equatorial Ligands Modulate the Reactivity of a Metal-Bound Terminal Oxidant? An Answer from the Hypochlorite Adduct of Iron(III) Porphyrin. ACS Catalysis. 2022. 12. 17. 10857-10871
Zhifeng Ma, Naoki Nakatani, Masahiko Hada. Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo-Manganese(V) Porphyrin Complexes. Chemphyschem : a European journal of chemical physics and physical chemistry. 2022. 23. 5. e202100810
Catalytic Reactions of Transition Metal Clusters and Surfaces from Ab-Initio Theory-Cluster and Dipped Adcluster Model Studys Combined with the SAC/SAC-CI Method-
Metal-Ligand Interactions : from Atoms to Clusters to Surfaces, Kluwer Academic 1992
Theoretical Study on the Catalytic Activities of Palladium for the Hydrogenation Reaction of Acetylene
Quantum Chemistry : The Challenge of Transition Metals and Coordination Chemistry, ASI Series, Reidel, Dordrecht 1986
Multi-Reference Cluster Expansion Theory and an Interaction of Hydrogen Molecule with Palladium
The Proceeding of the Nobel Laureate Symposium on Applied Quantum Chemistry, ed. by V. H. Smith Jr. , Reidel Dordrecht 1986