Concepedia

BN-Substituted fullerenes C60−2x (BN) x : a computational 11B and 15N NMR study

Maryam Anafcheh, Reza Ghafouri

Structural Chemistry · 2012 · 16 citations · 29 references

DOI

Concepts

References

29

C60: Buckminsterfullerene

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

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Accuracy of AH<sub><i>n</i></sub>equilibrium geometries by single determinant molecular orbital theory

P. C. Hariharan, John A. Pople · Molecular Physics · 1974 · 2.3K citations

, , +15

J. Mol. Struct. (Theochem)

Ranbir Singh, Bimalendu Deb · Journal of Molecular Structure THEOCHEM · 1996 · 1.8K citations

, , +2