Concepedia

Dependence of C C stretching wavenumber on polyene length in degraded polyvinyl chloride: a comparative empirical, classical mechanics, and DFT study

Sergey Kuznetsov, K. A. Prokhorov, D. I. Mendeleev, G Yu Nikolaeva, Leila Yu. Ustynyuk, Arnulf Materny, Patrice Donfack

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2022 · 11 citations · 36 references

DOI

Concepts

References

36

Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets

Dmitri N. Laikov · Chemical Physics Letters · 1997 · 1.4K citations

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PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing

Dimitri N. Laikov, Yu. A. Ustynyuk · Russian Chemical Bulletin · 2005 · 1K citations

, , +16

Vibrational spectra of some carotenoids and related linear polyenes. Raman spectroscopic study

L. Rimai, Markus Heyde, Deepak Gill · Journal of the American Chemical Society · 1973 · 291 citations

, , +11

Resonance Raman spectroscopy of carotenoids and carotenoid-containing systems

J. C. Merlin · Pure and Applied Chemistry · 1985 · 246 citations

, , +8

Conjugation length dependence of Raman scattering in a series of linear polyenes: Implications for polyacetylene

H. Schaffer, R. R. Chance, R. Silbey et al. · The Journal of Chemical Physics · 1991 · 217 citations

, , +17