Concepedia

Raman, infrared and NMR spectral analysis, normal coordinate analysis and theoretical calculations of 5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione and its thiol tautomer

Tarek A. Mohamed, Usama A. Soliman, Ibrahim A. Shaaban, Wajdi M. Zoghaib, Lee D. Wilson

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 22 citations · 49 references

DOI

Concepts

References

49

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 · 98.6K citations

, , +14

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K 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 · 22.5K citations

, , +16

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19K citations

, , +10

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.4K citations

, , +16