Concepedia

Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra

Claudio A. Téllez Soto, J.M. Ramos, A.C. Costa, L.S. Vieira, João Lucas Aquino Rangel, Leandro Raniero, Priscila P. Fávero, Tibebe Lemma, G.F. Ondar, O. Versiane,

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 21 citations · 23 references

DOI

Concepts

References

23

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

, , +11

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4