Concepedia

Adsorption of molecular iodine on the surface of sulfur-doped carbon nanotubes: theoretical study on their interactions, sensor properties, and other applications

Hossein Tavakol, Fahimeh Hassani

Structural Chemistry · 2014 · 31 citations · 38 references

DOI

Concepts

References

38

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

Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds

Frank H. Allen, Olga Kennard, Lee Brammer et al. · Journal of the Chemical Society Perkin Transactions 2 · 1987 · 8K citations

, , +16

cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

Are fullerene tubules metallic?

J. W. Mintmire, Brett I. Dunlap, C. T. White · Physical Review Letters · 1992 · 2.2K citations

, , +16