Concepedia

DFT investigation on the structures and stabilities of exohedral derivatives for D3 C32 fullerene: C32Xn (X = H and Cl)

Shuwei Tang, Li Sun, Jiwei Feng, Hao Sun, R. S. Wang, Yao Chang

The European Physical Journal D · 2009 · 17 citations · 39 references

DOI

Concepts

References

39

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

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

, , +13

C60: Buckminsterfullerene

Harold W. Kroto, J. R. Heath, Sean C. O’Brien et al. · Nature · 1985 · 15.9K citations

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.5K citations

, , +14

Solid C60: a new form of carbon

Wolfgang Krätschmer, Lowell D. Lamb, K. Fostiropoulos et al. · Nature · 1990 · 7.6K citations

, , +7

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