Ryota Ishimoto

Development of Constraint Algorithm for the Number of Electrons in Molecular Orbitals Consisting Mainly 4 f Atomic Orbitals of Rare-Earth Elements and Its Introduction to Tight-Binding Quantum Chemical Molecular Dynamics Method

M. Koyama, H. Tsuboi, A. Endou, 2007 .

Periodic density functional and tight-binding quantum chemical molecular dynamics study of catalytic properties on γ-Al2O3 supported Pt catalysts

M. Koyama, H. Tsuboi, A. Endou, 2006 .

Interfacial properties of ZrO2 supported precious metal catalysts: A density functional study

M. Koyama, H. Tsuboi, A. Endou, 2006 .