Tohru Sato

activity

20122020

_{60}^{-}

anion revisited: Precise derivations from photoelectron spectra and DFT calculations

46 citations · 85 across the 8 of their papers we have counts for

collaborators

Showing 2018Show all

2 papers · 1 filter

cond-mat.mtrl-sci2018★ 3 cited

Model Building of Metal Oxide Surfaces and Vibronic Coupling Density as a Reactivity Index: Regioselectivity of CO $_{2}$ Adsorption on Ag-loaded Ga $_{2}$ O $_{3}$

Yasuro Kojima, Wataru Ota, Kentaro Teramura +3

The step-by-step hydrogen-terminated (SSHT) model is proposed as a model for the surfaces of metal oxides. Using this model, it is found that the vibronic coupling density (VCD) ca…

cond-mat.str-el2018★ 11 cited

Quadratic Jahn-Teller effect of fullerene anions

Dan Liu, Yasuyuki Niwa, Naoya Iwahara +2

The quadratic Jahn-Teller effect of C $_{60}^{n -}$ ( $n =$ 1-5) is investigated from the first principles. Employing the density functional theory calculations with hybrid functional,…

Model Building of Metal Oxide Surfaces and Vibronic Coupling Density as a Reactivity Index: Regioselectivity of CO2​ Adsorption on Ag-loaded Ga2​O3​

Quadratic Jahn-Teller effect of fullerene anions

Model Building of Metal Oxide Surfaces and Vibronic Coupling Density as a Reactivity Index: Regioselectivity of CO $_{2}$ Adsorption on Ag-loaded Ga $_{2}$ O $_{3}$