Concepedia

Infrared and NMR spectra, tautomerism, vibrational assignment, normal coordinate analysis, and quantum mechanical calculations of 4-amino-5-pyrimidinecarbonitrile

Mahmoud S. Afifi, Rabei S. Farag, Ibrahim A. Shaaban, Lee D. Wilson, Wajdi M. Zoghaib, Tarek A. Mohamed

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 13 citations · 52 references

DOI

Concepts

References

52

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations

, , +8