Rchr
J-GLOBAL ID:200901092688727235
Update date: Jul. 17, 2024
Hada Masahiko
ハダ マサヒコ | Hada Masahiko
Affiliation and department:
Job title:
Professor
Homepage URL (2):
http://www.comp.tmu.ac.jp/qc/index-e.html
,
http://www.comp.tmu.ac.jp/qc/
Research field (3):
Thin-film surfaces and interfaces
, Biochemistry
, Basic physical chemistry
Research keywords (13):
核磁気共鳴スペクトル
, 磁気物性
, 相対論的量子化学
, 表面触媒化学
, 分子の励起状態
, 量子化学
, MCD
, NMR
, molecular magnetic property
, Relativistic Quantum Chemistry
, Surface Catalitic Chemistry
, Chemistry in excited states
, Quantum Chemistry
Research theme for competitive and other funds (38):
- 2021 - 2024 Development of relativistic electron correlation method toward actinide compounds
- 2021 - 2023 ランタノイド金属を含む低配位金属錯体から成る単一イオン磁石への計算化学的研究
- 2021 - 2023 ランタノイド金属を含む低配位金属錯体から成る単一イオン磁石への計算化学的研究
- 2019 - 2023 核シッフモーメントの電子遮蔽効果:相対論的量子化学計算による高精度予測
- 2017 - 2020 高次相対論とQED補正を含んだ電子相関理論に基づく電磁気分子物性の高精度計算
- 2013 - 2017 Reactivity and Selectivity of Hypochlorite Adducts of Metal Complexes
- 2014 - 2015 Quantum-chemical study on molecular properties in strong magnetic field of 1000T
- 2010 - 2013 相対論的SAC-CIを中核とする磁気的分子物性と励起状態反応系に関する理論研究
- 2010 - 2012 原子核体積は化学反応にどのように影響するか:同位体分別の量子化学的研究
- 2012 - 2012 Combined Electronic Structure Theory of Relativity, quasi-degeneracy, and Electron Correlation Oriented Towards Electric and Magnetic phenomena in molecules
- 2010 - 2012 Molecular Mechanism Controlling Reactivity and Selectivity of High-Valent Oxo-Metal Complexes
- 2010 - 2012 相対論的SAC-CIを中核とする磁気的分子物性と励起状態反応系に関する理論研究
- 2010 - 2011 Nuclear Volume Effects on Chemical Reactions
- 2008 - 2010 精密な相対論的電子状態理論の開発:分子物性と励起状態への展開
- 2007 - 2010 自発的発展可能な新量子化学文献データーベースシステムの構築
- 2008 - 2009 精密な相対論的電子状態理論の開発:分子物性と励起状態への展開
- 2007 - 2009 Spontaneous and Perpetual Development of a New Quantum-Chemistry Data Base System
- 2007 - 2009 無限次FW法による精密な相対論的電子状態理論の開発:分子物性と励起状態への展開
- 2007 - 2008 無限次FW法による精密な相対論的電子状態理論の開発:分子物性と励起状態への展開
- 1997 - 2008 重い典型元素を含む化合物のNMR化学シフト:相対論的効果の重要性
- 2002 - 2006 4成分Dirac型電子相関理論:励起状態と磁気化学への展開
- 2002 - 2006 量子的化学原理の深化と実現
- 2002 - 2005 Four-Component Dirac-type Electron-Correlation Theory : Excited State Chemistry and Magnetic Chemistry
- 1998 - 2001 Construction and development of the future field of theoretical chemistry
- 1998 - 1999 分子物性および表面反応への相対論的量子化学の展開
- 1998 - 1999 重い典型元素を含む化合物の電子構造:相対論的効果の重要性
- 1998 - 1998 重い典型元素を含む化合物の電子構造:相対論的効果の重要性
- 1998 - 1998 分子物性および表面反応への相対論的量子化学の展開
- 1995 - 1997 金属とπ電子クラスタ-の励起状態の構造と反応性に関する理論的研究
- 1997 - 1997 重い典型元素を含む化合物のNMR化学シフト:相対論的効果の重要性
- 1995 - 1997 Development of the large scale computational program system based on the SAC-CI method
- 1996 - 1996 金属と金属-π電子系クラスターの励起状態の構造と反応性に関する理論的研究
- 1995 - 1995 金属とπ電子クラスターの励起状態の構造と反応性に関する理論的研究
- 1993 - 1995 Theoretical study on the fundamental electronic process of the surface photochemistry
- 1991 - 1992 Theoretical studies on the catalytic activities of metal and metal oxide surfaces and metal clusters
- Excited states of Molecules.
- Catalytic Reaction Mechanism on Metal and Metal Oxide Surface.
- Magnetic properties of Metal Complexes and Relativistic Quantum Chemistry
Show all
Papers (143):
-
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
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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
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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
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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
more...
MISC (79):
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WATANABE SAKI, ABE MINORI, GOPAKUMAR GEETHA, HADA MASAHIKO. BaO分子の電子状態に関する理論的研究. 日本化学会講演予稿集. 2015. 95th. 2. 224
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ASAI KURUMI, KATO CHIZU, ABE MINORI, HADA MASAHIKO, FUJII YASUHIKO. 重原子金属錯体における同位体分別平衡の理論的研究. 日本化学会講演予稿集. 2015. 95th. 2. 224
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UKAJI KASUMI, ABE MINORI, FUJII HIROSHI, HADA MASAHIKO. 鉄オキソポルフィリンによるオレフィンのエポキシ化反応:四重項から六重項への系間交差. 日本化学会講演予稿集. 2015. 95th. 2. 233
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Kajita M, Gopakumar G, Abe M, Hada M, Kener M. 10pAW-9 Test of the variation in m_p/m_e via precise measurement of N_2+ vibrational transition frequency. Meeting abstracts of the Physical Society of Japan. 2014. 69. 2. 107-107
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M. Abe, M. Abe, G. Gopakumar, G. Gopakumar, M. Hada, M. Hada, B. P. Das, H. Tatewaki, D. Mukherjee. Application of relativistic coupled-cluster theory to the effective electric field in YbF. Physical Review A - Atomic, Molecular, and Optical Physics. 2014. 90
more...
Books (3):
-
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
Education (4):
- - 1986 Kyoto University
- - 1986 Kyoto University Graduate School, Division of Engineering
- - 1981 Kyoto University Faculty of Engineering
- - 1981 Kyoto University Faculty of Engineering
Professional career (1):
Association Membership(s) (4):
American Chemical Society
, THE SOCIETY FOR ATOMIC COLLISION RESEANCH
, SOCIETY OF COMPUTER CHEMISTRY, JAPAN
, 日本化学会
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