Tomohisa Soda

Ab initio computations of effective exchange integrals for H–H, H–He–H and Mn2O2 complex: comparison of broken-symmetry approaches

Tomohisa Soda, Yasutaka Kitagawa, Taku Onishi et al. · Chemical Physics Letters · 2000 · 764 citations

Inorganic Chemistry, Ab Initio Computations, Engineering +11

Theoretical studies on effective spin interactions, spin alignments and macroscopic spin tunneling in polynuclear manganese and related complexes and their mesoscopic clusters

Hirotaka Nagao, Masamichi Nishino, Yasuteru Shigeta et al. · Coordination Chemistry Reviews · 2000 · 160 citations

Magnetism, Spintronics, Engineering +11

Improvement of the hybrid density functional method from the viewpoint of effective exchange integrals

Yasutaka Kitagawa, Tomohisa Soda, Yasuteru Shigeta et al. · International Journal of Quantum Chemistry · 2001 · 39 citations

Numerical Analysis, Dft Methods, Engineering +14

EHF theory of chemical reactions V. Nature of manganese–oxygen bonds by hybrid density functional theory (DFT) and coupled‐cluster (CC) methods

Hiroshi Isobe, Tomohisa Soda, Yasutaka Kitagawa et al. · International Journal of Quantum Chemistry · 2001 · 37 citations

Materials Science, Inorganic Chemistry, Chemical Engineering +14

Density functional and post-Hartree-Fock studies on effective exchange interaction ofd-?-d conjugated systems involvingm-phenylene-type bridge

Yu Takano, Taku Onishi, Yasutaka Kitagawa et al. · International Journal of Quantum Chemistry · 2000 · 28 citations

Engineering, Excitation Energy Transfer, Computational Chemistry +19