HADA Masahiko

J-GLOBAL         Last updated: May 5, 2019 at 14:31
 
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Name
HADA Masahiko
URL
http://www.comp.tmu.ac.jp/qc/
Affiliation
Tokyo Metropolitan University
Job title
Professor
Degree
Ph.D

Research Areas

 
 

Education

 
 
 - 
1986
Graduate School, Division of Engineering, Kyoto University
 
 
 - 
1981
Faculty of Engineering, Kyoto University
 

Published Papers

 
Indra Purnama, Salmahaminati, Minori Abe, Masahiko Hada, Yuji Kubo, and Jacob Yan Mulyana
Dalton Trans.   48 688-695   2019   [Refereed]
A. Sunaga, V. S. Prasannaa, M. Abe, M. Hada, and B. P. Das
Physical Review A   99(4) 040501   2019   [Refereed]
Functionalization of Endohedral Metallofullerenes toward Improving Barrier Height for the Relaxation of Magnetization for Dy2@C80-X (X = CF3, C3N3Ph2)
A. Velloth, Y. Imamura, M. Hada
Inorganic Chemistry   58 1208-1215   2019   [Refereed]
Shimizu Toshihiko, Hashimoto Kenro, Hada Masahiko, Miyazaki Mitsuhiko, Fujii Masaaki
PHYSICAL CHEMISTRY CHEMICAL PHYSICS   20(5) 3265-3276   Feb 2018   [Refereed]
Naoki Nakatani and Masahiko Hada
Journal of Computational Chemistry   40(2) 414-420   2018   [Refereed]
A. Sunaga, V. S. Prasannaa, M. Abe, M. Hada, and B. P. Das
Physical Review A   98 042511-(1-6)   2018   [Refereed]
Extrapolation of Polymer Gap by Combining Cluster and Periodic Boundary Condition Calculations with Hückel Theory
Yutaka Imamura, Motomichi Tashiro, Michio Katouda, Masahiko Hada
Chemical Physics Letters   707 44-48   2018   [Refereed]
First-Principles Calculations of the Rotational Motion and Hydrogen Bond Capability of Large Organic Cations in Hybrid Perovskites
Shohei Kanno, Yutaka Imamura, Masahiko Hada
Journal of Physical Chemistry C   122(28) 15966-15972   2018   [Refereed]
Anomalous Dielectric Behavior of a Pb/Sn Perovskite: Effect of Trapped Charges on Complex Photoconductivity
Kento Yamada, Ryosuke Nishikubo, Hikaru Oga, Yuhei Ogomi, Shuzi Hayase, Shohei Kanno, Yutaka Imamura, Masahiko Hada, Akinori Saeki
ACS Photonics   5(6) 3189-3197   2018   [Refereed]
Imamura Yutaka, Tashiro Motomichi, Katouda Michio, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY C   121(51) 28275-28286   Dec 2017   [Refereed]
Velloth Archana, Imamura Yutaka, Kodama Takeshi, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY C   121(49) 27700-27708   Dec 2017   [Refereed]
Kanno Shohei, Imamura Yutaka, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY C   121(47) 26188-26195   Nov 2017   [Refereed]
Yi Jun, Yang Wenhong, Sun Wen-Hua, Nomura Kotohiro, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY A   121(47) 9099-9105   Nov 2017   [Refereed]
Yoshizawa Terutaka, Hada Masahiko
JOURNAL OF CHEMICAL PHYSICS   147(15)    Oct 2017   [Refereed]
Tada Tsukasa, Fukushima Takanori, Hada Masahiko, Majima Yutaka
JOURNAL OF PHYSICAL CHEMISTRY A   121(40) 7797-7806   Oct 2017   [Refereed]
Miyamoto Masaya, Oyama Yuki, Hada Masahiko
JOURNAL OF COMPUTER CHEMISTRY-JAPAN   16(4) 91-92   Oct 2017   [Refereed]
Sunaga Ayaki, Abe Minori, Hada Masahiko
JOURNAL OF COMPUTER CHEMISTRY-JAPAN   16(4) 81-82   Oct 2017   [Refereed]
Velloth Archana, Imamura Yutaka, Kodama Takeshi, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY C   121(33) 18169-18177   Aug 2017   [Refereed]
Saito Masaichi, Akiba Tomoki, Furukawa Shunsuke, Minoura Mao, Hada Masahiko, Yoshikawa Hiroshi Y.
ORGANOMETALLICS   36(14) 2487-2490   Jul 2017   [Refereed]
Kanno Shohei, Imamura Yutaka, Saeki Akinori, Hada Masahiko
JOURNAL OF PHYSICAL CHEMISTRY C   121(26) 14051-14059   Jul 2017   [Refereed]

Misc

 
Chemical Physics Letters   196(5) 404-409   1992

Books etc

 
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   
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   
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   

Research Grants & Projects

 
Ministry of Education, Culture, Sports, Science and Technology: Grants-in-Aid for Scientific Research(挑戦的萌芽研究)
Project Year: 2010 - 2011    Investigator(s): Masahiko HADA
I consider the nuclear volume effect, a new cause of isotope fractionation, from relativistic molecular orbital theory. Four-component Dirac-Coulomb Hartree-Fock method with Gaussian type nucleus model well reproduces the experimental isotope frac...
Ministry of Education, Culture, Sports, Science and Technology: Grants-in-Aid for Scientific Research(基盤研究(B))
Project Year: 2007 - 2009    Investigator(s): Masahiko HADA
In our project, we carried out the collection and refinement of ab inition qunatum-chemistry literature data base (QCLDB), which has been renewed for 20 years or more, and employed several measures to make this QCLDB grow spontaneously and perpetu...
Ministry of Education, Culture, Sports, Science and Technology: Grants-in-Aid for Scientific Research(基盤研究(B))
Project Year: 2002 - 2005    Investigator(s): Masahiko HADA
Guarantee on the accuracy of quantum-chemical calculations over all types of molecules containing all atoms is one of the most important subjects in the quantum chemistry. Electron-correlation methods must be re-constructed with relativistic hamil...
Magnetic properties of Metal Complexes and Relativistic Quantum Chemistry
Catalytic Reaction Mechanism on Metal and Metal Oxide Surface.