Concepedia

Ab initio investigation of the SCN− chemisorption of single-walled boron nitride nanotubes

Alireza Soltani, Nasim Ahmadian, Yaser Kanani, A Dehnokhalaji, Hossein Mighani

Applied Surface Science · 2012 · 47 citations · 44 references

DOI

Concepts

References

44

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

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

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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

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

, , +3

Nanotube Molecular Wires as Chemical Sensors

Jing Kong, Nathan R. Franklin, Chongwu Zhou et al. · Science · 2000 · 6K citations

, , +17