Concepedia

Ab initio study of covalently functionalized carbon nanotubes

Marcos V. Veloso, A. G. Souza Filho, J. Mendes Filho, Solange Binotto Fagan, R. Mota

Chemical Physics Letters · 2006 · 92 citations · 15 references

DOI

Concepts

References

15

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

Efficient pseudopotentials for plane-wave calculations

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

, , +14

Self-consistent order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>density-functional calculations for very large systems

Pablo Ordejón, Emilio Artacho, José M. Soler · Physical review. B, Condensed matter · 1996 · 2.6K citations · Full text

, , +17

Hydrogen Storage in Single-Walled Carbon Nanotubes at Room Temperature

C. Liu, Yueying Fan, M. Liu et al. · Science · 1999 · 1.9K citations

, , +17