Concepedia

Ab initio determination of molecular geometries and vibrational frequencies of CX3 COOH (X=H, F, Cl, Br)

R.A. Yadav, Manoj Kumar, R. S. Singh, Priyanka Singh, S. Jaiswal, Gaurav Srivastav, Rajendra Prasad

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2008 · 11 citations · 13 references

DOI

Concepts

References

13

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 exchange-energy approximation with correct asymptotic behavior

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

, , +17

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

, , +15

The crystal structure of acetic acid

R. E. Jones, David H. Templeton · Acta Crystallographica · 1958 · 139 citations · Full text

, , +12