Noboru Takeuchi

First-principles calculations of the ground-state properties and stability of ScN

Noboru Takeuchi · Physical review. B, Condensed matter · 2002 · 172 citations

Materials Engineering, Materials Science, First-principles Calculations +15

Understanding the Selectivity of the Oxygen Reduction Reaction at the Atomistic Level on Nitrogen‐Doped Graphitic Carbon Materials

H. N. Fernández-Escamilla, J. Guerrero-Sánchez, Enrique Contreras et al. · Advanced Energy Materials · 2020 · 118 citations

Materials Science, Oxygen Reduction Reaction, Chemical Engineering +10

First principles calculations of the ground-state properties and structural phase transformation in CdO

Noboru Takeuchi · Physical review. B, Condensed matter · 2002 · 95 citations

Sodium Chloride, Engineering, Ground-state Properties +19

Ab initio total energy calculations of copper nitride: the effect of lattice parameters and Cu content in the electronic properties

Ma. Guadalupe Moreno‐Armenta, Alejandro Martı́nez-Ruiz, Noboru Takeuchi · Solid State Sciences · 2003 · 92 citations

Materials Science, Engineering, Copper Nitride +10

Surface Reaction of Alkynes and Alkenes with H-Si(111):  A Density Functional Theory Study

Noboru Takeuchi, Yosuke Kanai, Annabella Selloni · Journal of the American Chemical Society · 2004 · 87 citations

Engineering, Chain Reaction, Computational Chemistry +16