Miho Isegawa

Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies

Miho Isegawa, Roberto Peverati, Donald G. Truhlar · The Journal of Chemical Physics · 2012 · 188 citations · Full text

Natural Sciences, Chemistry, Physics +14

Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches

Miho Isegawa, Frank Neese, Dimitrios A. Pantazis · Journal of Chemical Theory and Computation · 2016 · 138 citations

Natural Sciences, Chemistry, Physics +15

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 · The Journal of Chemical Physics · 2013 · 70 citations

Natural Sciences, Chemistry, Physics +17

Electrostatically Embedded Molecular Tailoring Approach and Validation for Peptides

Miho Isegawa, Bo Wang, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2013 · 68 citations

Natural Sciences, Biochemistry, Chemistry +15

Pentagon‐Rich Caged Carbon Catalyst for the Oxygen Reduction Reaction in Acidic Electrolytes

Guoping Chen, Miho Isegawa, Taro Koide et al. · Angewandte Chemie International Edition · 2024 · 57 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17