Concepedia

Spectroscopic properties, NLO, HOMO–LUMO and NBO analysis of 2,5-Lutidine

Marimuthu Govindarajan, M. Karabacak

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 138 citations · 32 references

DOI

Concepts

References

32

Spectrometric identification of organic compounds

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

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Frontier Orbitals and Organic Chemical Reactions

Journal of Molecular Structure · 1979 · 3.4K citations

, , +13

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society · 1983 · 1.6K citations

, , +17

Introduction to Infrared and Raman Spectroscopy.

R. C. Lord · Journal of the American Chemical Society · 1965 · 1.4K citations

, , +12

The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

Géza Fogarasi, Xuefeng Zhou, Patterson W. Taylor et al. · Journal of the American Chemical Society · 1992 · 946 citations

, , +9