Concepedia

Sulfur bonding in MoS2 and Co-Mo-S structures

Line S. Byskov, Bjørk Hammer, Jens K. Nørskov, B. Clausen, H. Topsøe

Catalysis Letters · 1997 · 156 citations · 15 references

DOI

Concepts

References

15

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

John P. Perdew, J. A. Chevary, S. H. Vosko et al. · Physical review. B, Condensed matter · 1992 · 22K citations

, , +16

Efficient pseudopotentials for plane-wave calculations

N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations

, , +14

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

M. C. Payne, M. P. Teter, D. C. Allan et al. · Reviews of Modern Physics · 1992 · 9.6K citations

, , +16

Why gold is the noblest of all the metals

Bjørk Hammer · Nature · 1995 · 3.8K citations

, , +6