Concepedia

Spectroscopic (FT-IR, FT-Raman, NMR and UV–Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid

S. Suresh, S. Gunasekaran, S. Srinivasan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 82 citations · 30 references

DOI

Concepts

References

30

Density-functional theory of atoms and molecules

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

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Frontier Orbitals and Organic Chemical Reactions

Journal of Molecular Structure · 1979 · 3.4K citations

, , +13

Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields

Guntram Rauhut, Péter Pulay · The Journal of Physical Chemistry · 1995 · 1.9K citations

, , +10

Carbon-13 NMR spectroscopy

Hans‐Otto Kalinowski, Stefan Berger, S. Braun et al. · Analytica Chimica Acta · 1989 · 1.1K citations

Protein structure determination from NMR chemical shifts

Andrea Cavalli, Xavier Salvatella, Christopher M. Dobson et al. · Proceedings of the National Academy of Sciences · 2007 · 564 citations · Full text

, , +17