Concepedia

Electronic transport properties of ascorbic acid and nicotinamide adsorbed on single-walled carbon nanotubes

Vivian Machado de Menezes, Alexandre Reily Rocha, Ivana Zanella, Ronaldo Mota, A. Fazzio, Solange Binotto Fagan

Chemical Physics Letters · 2011 · 15 citations · 24 references

DOI

Concepts

References

24

Self-Consistent Equations Including Exchange and Correlation Effects

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

, , +15

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

, , +5

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

Self-interaction correction to density-functional approximations for many-electron systems

John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.8K citations · Full text

, , +16

Efficient pseudopotentials for plane-wave calculations

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

, , +14