Concepedia

Gas adsorption on the Zn–, Pd– and Os–doped armchair (5,5) single–walled carbon nanotubes

Chanukorn Tabtimsai, Somchai Keawwangchai, Banchob Wanno, Vithaya Ruangpornvisuti

Journal of Molecular Modeling · 2011 · 27 citations · 32 references

DOI

Concepts

References

32

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

, , +5

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 15.5K citations

, , +15

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16