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Comment on ‘‘Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations’’ [J. Mol. Struct. 1052 (2013) 38–49]
(Elsevier Science, 2014-01-06)
The title paper [1] reports the analysis of the vibrational spectra (infrared and Raman) of solid carbimazole based on the computed molecular structure for a rather unusual conformer. The optimized structure does agree ...
Surface-enhanced Raman scattering and density functional theory studies of bis(4-aminophenyl)sulfone
(2010)
Raman and surface-enhanced Raman scattering (SERS) spectra of dapsone by using colloidal silver nanoparticles have been recorded. Density functional theory was used for the optimization of ground state geometries and ...
Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion
(2003-04-25)
Contracted GTF basis sets designed with aid of the Generator Coordinate Hartree-Fock (GCHF) method for H(2S), O2-(1S), and Cr3+(4F) atomic species are applied to perform theoretical interpretation of the Raman spectrum of ...
Contracted GTF basis sets applied to the theoretical interpretation of the Raman spectrum of hexaaquachromium(III) ion
(2003-04-25)
Contracted GTF basis sets designed with aid of the Generator Coordinate Hartree-Fock (GCHF) method for H(2S), O2-(1S), and Cr3+(4F) atomic species are applied to perform theoretical interpretation of the Raman spectrum of ...
Modelling the raman spectrum of the amorphous- crystal Si system
(Institute of Physics (the “Institute”) and IOPscienceIOP Publishing, 2020)
Raman and surface enhanced Raman scattering of a black dyed silk
(John Wiley & Sons, 2013)
The Raman and surface enhanced Raman scattering (SERS) spectra of a black dyed silk sample (BDS) were registered. The
spectral analysis was performed on the basis of Raman and SERS spectral data of isolated samples of ...