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Fingerprint Dive into the research topics where Miho Isegawa is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 5 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Potential energy surfaces Chemical Compounds
functionals Physics & Astronomy
Atoms Chemical Compounds
Ionization potential Chemical Compounds
potential energy Physics & Astronomy
valence Physics & Astronomy

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Research Output 2007 2019

  • 373 Citations
  • 10 h-Index
  • 18 Article
  • 1 Comment/debate

CO2 reduction by a Mn electrocatalyst in the presence of a Lewis acid: A DFT study on the reaction mechanism

Isegawa, M. & Sharma, A. K., Jan 1 2019, In : Sustainable Energy and Fuels. 3, 7, p. 1730-1738 9 p.

Research output: Contribution to journalArticle

Electrocatalysts
Density functional theory
Acids
Ligands
Thermodynamics
3 Citations (Scopus)

DFT Study on Fe(IV)-Peroxo Formation and H Atom Transfer Triggered O2 Activation by NiFe Complex

Isegawa, M., Sharma, A. K., Ogo, S. & Morokuma, K., May 29 2018, In : Organometallics. 37, 10, p. 1534-1545 12 p.

Research output: Contribution to journalArticle

Density functional theory
Hydrogen
Chemical activation
activation
Oxygen
1 Citation (Scopus)

Electron and Hydride Transfer in a Redox-Active NiFe Hydride Complex: A DFT Study

Isegawa, M., Sharma, A. K., Ogo, S. & Morokuma, K., Nov 2 2018, In : ACS Catalysis. 8, 11, p. 10419-10429 11 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Hydrides
Electrons
Ions
Hydrogen
8 Citations (Scopus)

Copper-Catalyzed Enantioselective Boron Conjugate Addition: DFT and AFIR Study on Different Selectivities of Cu(I) and Cu(II) Catalysts

Isegawa, M., Sameera, W. M. C., Sharma, A. K., Kitanosono, T., Kato, M., Kobayashi, S. & Morokuma, K., Aug 4 2017, In : ACS Catalysis. 7, 8, p. 5370-5380 11 p.

Research output: Contribution to journalArticle

Boron
Catalyst selectivity
Density functional theory
Copper
Catalysts
36 Citations (Scopus)
Ionization potential
Solvation
Discrete Fourier transforms
ionization
orbitals