Masahiko Hada

Publication Activity (10 Years)

Years Active: 2001-2021
Publications (10 Years): 4

Top Topics

Simulation Study

Grounded Theory

Statistical Analysis

Top Venues

J. Comput. Chem.

Publications

Zhifeng Ma, Naoki Nakatani, Masahiko Hada
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study. J. Comput. Chem. 42 (27) (2021)
Masaya Miyamoto, Masahiko Hada
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. 41 (17) (2020)
Zhifeng Ma, Kasumi Ukaji, Naoki Nakatani, Hiroshi Fujii, Masahiko Hada
Substitution effects on olefin epoxidation catalyzed by Oxoiron(IV) porphyrin π-cation radical complexes: A dft study. J. Comput. Chem. 40 (19) (2019)
Naoki Nakatani, Masahiko Hada
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. 40 (2) (2019)
Keisuke Nemoto, Minori Abe, Junji Seino, Masahiko Hada
study of nuclear volume effects for isotope fractionations using two-component relativistic methods. J. Comput. Chem. 36 (11) (2015)
Toshiaki Kawamura, Minori Abe, Masaichi Saito, Masahiko Hada
Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases. J. Comput. Chem. 35 (11) (2014)
Terutaka Yoshizawa, Masahiko Hada
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. 30 (15) (2009)
Yasushi Honda, Atsushi Kurihara, Masahiko Hada, Hiroshi Nakatsuji
-hydrindans(Ch = S, Se, Te): SAC and SAC-CI calculations. J. Comput. Chem. 29 (4) (2007)
Terutaka Yoshizawa, Masahiko Hada
Calculations of frequency-dependent molecular magnetizabilities with quasi-relativistic time-dependent generalized unrestricted Hartree-Fock method. J. Comput. Chem. 28 (4) (2007)
Shuhei Fukawa, Masahiko Hada, Ryoichi Fukuda, Shinji Tanaka, Hiroshi Nakatsuji
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. 22 (5) (2001)
Masahiko Hada, Jian Wan, Ryoichi Fukuda, Hiroshi Nakatsuji
Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts. J. Comput. Chem. 22 (13) (2001)