Concepedia

Structural, spectral, thermodynamical, NLO, HOMO, LUMO and NBO analysis of fluconazole

K. Chandrasekaran, Roop Kumar

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 65 citations · 48 references

DOI

Concepts

References

48

Spectrometric identification of organic compounds

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

, , +12

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Optimization of equilibrium geometries and transition structures

H. Bernhard Schlegel · Journal of Computational Chemistry · 1982 · 3.9K citations

, , +14

Infrared characteristic group frequencies

Marek Goldstein · Endeavour · 1981 · 2.6K citations

, , +8

Spectrometric identification of organic compounds

Journal of Molecular Structure · 1972 · 2.5K citations

, , +12