Concepedia

Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 5-chloro-6-(4-chlorobenzoyl)-2-benzothiazolinone molecule

Erol Taşal, İsa Sıdır, Yadigar Gülseven, Cemi̇l Öğretır, Tíjen Önkol

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2008 · 18 citations · 24 references

DOI

Concepts

References

24

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

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

The performance of a family of density functional methods

Benny G. Johnson, Peter M. W. Gill, John A. Pople · The Journal of Chemical Physics · 1993 · 1.9K citations

, , +17

FTIR and Raman studies on benzimidazole

S. Mohan, N. Sundaraganesan, J. Mink · Spectrochimica Acta Part A Molecular Spectroscopy · 1991 · 206 citations

, , +11