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Physical Chemistry Chemical Physics : PCCP
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March 1, 2023
Chemical modification of dimethylpolysiloxane for enhancement of CO<sub>2</sub> binding enthalpy
Miho Isegawa
Dalton Transactions (Cambridge, England : 2003)
|
March 11, 2024
Metal- and ligand-substitution-induced changes in the kinetics and thermodynamics of hydrogen activation and hydricity in a dinuclear metal complex
Miho Isegawa
Journal of Chemical Theory and Computation
|
December 4, 2015
Polarizable Force Field for Protein with Charge Response Kernel
Miho Isegawa, Shigeki Kato
The Journal of Chemical Physics
|
January 1, 2008
Electronic polarization effect on low-frequency infrared and Raman spectra of aprotic solvent: molecular dynamics simulation study with charge response kernel by second order Møller-Plesset perturbation method
Miho Isegawa, Shigeki Kato
The Journal of Physical Chemistry. A
|
February 24, 2015
Photochemical ring opening and closing of three isomers of diarylethene: spin-flip time-dependent density functional study
Miho Isegawa, Keiji Morokuma
RSC Advances
|
May 2, 2022
Photochemical conversion of CO<sub>2</sub> to CO by a Re complex: theoretical insights into the formation of CO and HCO<sub>3</sub> <sup>-</sup> from an experimentally detected monoalkyl carbonate complex
Miho Isegawa, Akhilesh K Sharma
The Journal of Chemical Physics
|
April 12, 2013
Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation
Miho Isegawa, Donald G Truhlar
Dalton Transactions (Cambridge, England : 2003)
|
December 13, 2021
Hydrogen evolution, electron-transfer, and hydride-transfer reactions in a nickel-iron hydrogenase model complex: a theoretical study of the distinctive reactivities for the conformational isomers of nickel-iron hydride
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
Inorganic Chemistry
|
January 4, 2020
Selective Oxidation of H<sub>2</sub> and CO by NiIr Catalyst in Aqueous Solution: A DFT Mechanistic Study
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
RSC Advances
|
April 28, 2022
H<sub>2</sub> activation by hydrogenase-inspired NiFe catalyst using frustrated Lewis pair: effect of buffer and halide ion in the heterolytic H-H bond cleavage
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
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Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2023
Chemical modification of dimethylpolysiloxane for enhancement of CO<sub>2</sub> binding enthalpy
Miho Isegawa
Dalton Transactions (Cambridge, England : 2003)
|
March 11, 2024
Metal- and ligand-substitution-induced changes in the kinetics and thermodynamics of hydrogen activation and hydricity in a dinuclear metal complex
Miho Isegawa
Journal of Chemical Theory and Computation
|
December 4, 2015
Polarizable Force Field for Protein with Charge Response Kernel
Miho Isegawa, Shigeki Kato
The Journal of Chemical Physics
|
January 1, 2008
Electronic polarization effect on low-frequency infrared and Raman spectra of aprotic solvent: molecular dynamics simulation study with charge response kernel by second order Møller-Plesset perturbation method
Miho Isegawa, Shigeki Kato
The Journal of Physical Chemistry. A
|
February 24, 2015
Photochemical ring opening and closing of three isomers of diarylethene: spin-flip time-dependent density functional study
Miho Isegawa, Keiji Morokuma
RSC Advances
|
May 2, 2022
Photochemical conversion of CO<sub>2</sub> to CO by a Re complex: theoretical insights into the formation of CO and HCO<sub>3</sub> <sup>-</sup> from an experimentally detected monoalkyl carbonate complex
Miho Isegawa, Akhilesh K Sharma
The Journal of Chemical Physics
|
April 12, 2013
Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation
Miho Isegawa, Donald G Truhlar
Dalton Transactions (Cambridge, England : 2003)
|
December 13, 2021
Hydrogen evolution, electron-transfer, and hydride-transfer reactions in a nickel-iron hydrogenase model complex: a theoretical study of the distinctive reactivities for the conformational isomers of nickel-iron hydride
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
Inorganic Chemistry
|
January 4, 2020
Selective Oxidation of H<sub>2</sub> and CO by NiIr Catalyst in Aqueous Solution: A DFT Mechanistic Study
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
RSC Advances
|
April 28, 2022
H<sub>2</sub> activation by hydrogenase-inspired NiFe catalyst using frustrated Lewis pair: effect of buffer and halide ion in the heterolytic H-H bond cleavage
Miho Isegawa, Takahiro Matsumoto, Seiji Ogo
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of 3