Masahiko Hada
Orcid: 0000-0003-2752-2442
According to our database1,
Masahiko Hada
authored at least 11 papers
between 2001 and 2021.
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Bibliography
2021
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study.
J. Comput. Chem., 2021
2020
Surface-enhanced Raman scattering of M2 -pyrazine-M2 (M = Cu, Ag, Au): Analysis by natural perturbation orbitals and density functional theory functional dependence.
J. Comput. Chem., 2020
2019
Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO+.
J. Comput. Chem., 2019
Substitution effects on olefin epoxidation catalyzed by Oxoiron(IV) porphyrin π-cation radical complexes: A dft study.
J. Comput. Chem., 2019
2015
An <i>ab initio</i> study of nuclear volume effects for isotope fractionations using two-component relativistic methods.
J. Comput. Chem., 2015
2014
Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases.
J. Comput. Chem., 2014
2009
Relativistic and electron-correlation effects on magnetizabilities investigated by the Douglas-Kroll-Hess method and the second-order Møller-Plesset perturbation theory.
J. Comput. Chem., 2009
2007
Calculations of frequency-dependent molecular magnetizabilities with quasi-relativistic time-dependent generalized unrestricted Hartree-Fock method.
J. Comput. Chem., 2007
Excitation and circular dichroism spectra of (-)-(3a<i>S</i>, 7a<i>S</i>)-2-chalcogena-<i>trans</i>-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations.
J. Comput. Chem., 2007
2001
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.
J. Comput. Chem., 2001
Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4).
J. Comput. Chem., 2001