Masahiko Hada

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2021 J jnl
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study.
J. Comput. Chem.
Zhifeng Ma, Naoki Nakatani, Masahiko Hada
2020 J jnl
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.
Masaya Miyamoto, Masahiko Hada
2019 J jnl
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.
Naoki Nakatani, Masahiko Hada
2019 J jnl
Substitution effects on olefin epoxidation catalyzed by Oxoiron(IV) porphyrin π-cation radical complexes: A dft study.
J. Comput. Chem.
Zhifeng Ma, Kasumi Ukaji, Naoki Nakatani, Hiroshi Fujii, Masahiko Hada
2015 J jnl
An
J. Comput. Chem.
Keisuke Nemoto, Minori Abe, Junji Seino, Masahiko Hada
2014 J jnl
Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases.
J. Comput. Chem.
Toshiaki Kawamura, Minori Abe, Masaichi Saito, Masahiko Hada
2009 J jnl
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.
Terutaka Yoshizawa, Masahiko Hada
2007 J jnl
Calculations of frequency-dependent molecular magnetizabilities with quasi-relativistic time-dependent generalized unrestricted Hartree-Fock method.
J. Comput. Chem.
Terutaka Yoshizawa, Masahiko Hada
2007 J jnl
Excitation and circular dichroism spectra of (-)-(3a
J. Comput. Chem.
Yasushi Honda, Atsushi Kurihara, Masahiko Hada, Hiroshi Nakatsuji
2001 J jnl
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts.
J. Comput. Chem.
Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji
2001 J jnl
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.
Shuhei Fukawa, Masahiko Hada, Ryoichi Fukuda, Shinji Tanaka, Hiroshi Nakatsuji