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大野かおる Wikidata

大野, かおる NII (Japan)

VIAF ID: 115419497 (Personal)


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Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol. Wikidata
Accurate quasiparticle calculation of x-ray photoelectron spectra of solids. Wikidata
Atomistic nucleation and growth mechanism for single-wall carbon nanotubes on catalytic nanoparticle surfaces. Wikidata
Evolution of the electronic structure of Be clusters. Wikidata
Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation. Wikidata
Geometry dependence of electronic and energetic properties of one-dimensional peanut-shaped fullerene polymers. Wikidata
A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)3 and (CdSe)6 clusters. Wikidata
A lattice Monte Carlo simulation of the FePt alloy using a first-principles renormalized four-body interaction. Wikidata
Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system. Wikidata
Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice. Wikidata
Thermodynamic properties of the Cu-Au system using a face-centered-cubic lattice model with a renormalized potential. Wikidata
Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations. Wikidata
Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations. Wikidata
Why the all-electron full-potential approach is suitable for calculations on fullerenes and nanotubes? Wikidata
溶液中の枝分かれ高分子のスケーリング理論 NII (Japan)

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