Construction the Ni@Carbon nanostructure with dual-reaction surfaces for the selective hydrogenation reaction

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

Natural Sciences, Chemistry, Computational Chemistry +15

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

Natural Sciences, Chemistry, Physics +17

Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)

K. S. W. Sing · Pure and Applied Chemistry · 1985 · 24.1K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

Handbook of X-Ray Photoelectron Spectroscopy

J. F. Moulder · Medical Entomology and Zoology · 1995 · 23.7K citations

Natural Sciences, Chemistry, Materials Science +10

<i>Ab initio</i>molecular dynamics for open-shell transition metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 8.2K citations

Natural Sciences, Chemistry, Physics +14