Miho Isegawa
Affiliations: | Kyushu University, Japan |
Area:
Computational ChemistryGoogle:
"Miho Isegawa"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Jiali Gao | post-doc | UMN | |
| Keiji Morokuma | post-doc | Kyoto University, Japan | |
| Frank Neese | post-doc | Max Planck Institue for Chemical Energy Conversion | |
| Donald G. Truhlar | post-doc | UMN |
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Publications
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| Bhattacharjee S, Isegawa M, Garcia-Ratés M, et al. (2022) Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches. Journal of Chemical Theory and Computation. 18: 1619-1632 |
| Isegawa M, Sharma AK. (2021) Photochemical conversion of CO to CO by a Re complex: theoretical insights into the formation of CO and HCO from an experimentally detected monoalkyl carbonate complex. Rsc Advances. 11: 37713-37725 |
| Isegawa M, Sharma AK. (2019) CO2 reduction by a Mn electrocatalyst in the presence of a Lewis acid: a DFT study on the reaction mechanism Sustainable Energy & Fuels. 3: 1730-1738 |
| Isegawa M, Sameera WMC, Sharma AK, et al. (2017) Copper-Catalyzed Enantioselective Boron Conjugate Addition: DFT and AFIR Study on Different Selectivities of Cu(I) and Cu(II) Catalysts Acs Catalysis. 7: 5370-5380 |
| Isegawa M, Neese F, Pantazis DA. (2016) Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab initio Theory and Pair Natural Orbital Approaches. Journal of Chemical Theory and Computation |
| Isegawa M, Morokuma K. (2015) Photochemical ring opening and closing of three isomers of diarylethene: spin-flip time-dependent density functional study. The Journal of Physical Chemistry. A. 119: 4191-9 |
| Isegawa M, Liu F, Maeda S, et al. (2014) Complete active space second order perturbation theory (CASPT2) study of N(²D) + H₂O reaction paths on D₁ and D₀ potential energy surfaces: direct and roaming pathways. The Journal of Chemical Physics. 141: 154303 |
| Isegawa M, Liu F, Maeda S, et al. (2014) Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths. The Journal of Chemical Physics. 140: 244310 |
| Wang B, Yang KR, Xu X, et al. (2014) Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates. Accounts of Chemical Research. 47: 2731-8 |
| Isegawa M, Peverati R, Truhlar DG. (2014) Erratum: “Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies” [J. Chem. Phys. 137, 244104 (2012)] The Journal of Chemical Physics. 140: 129901 |