Concepedia

Tautomerism, Raman, infrared and ultraviolet–visible spectra, vibrational assignments, MP2 and B3LYP calculations of dienol 3,4-dihydroxypyridine, keto-enol 3-hydroxypyridin-4-one and keto-enol dimer

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

Journal of Molecular Structure · 2013 · 11 citations · 38 references

DOI

Concepts

References

38

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

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

, , +11

Spectrometric identification of organic compounds

Robert M. Silverstein, G. Clayton Bassler · Journal of Chemical Education · 1962 · 14.3K citations

, , +12