Vibrational energy distribution analysis (VEDA): scopes and limitations
MH Jamróz - Spectrochimica Acta Part A: Molecular and …, 2013 - Elsevier
The principle of operations of the VEDA program written by the author for Potential Energy
Distribution (PED) analysis of theoretical vibrational spectra is described. Nowadays, the …
Distribution (PED) analysis of theoretical vibrational spectra is described. Nowadays, the …
Spectroscopic (FT-IR, Raman, NMR and UV–vis.) and quantum chemical investigations of (E)-3-[4-(pentyloxy) phenyl]-1-phenylprop-2-en-1-one
In this study, the molecular structure and vibrational and electronic transition spectra and 1 H
and 13 C NMR chemical shift values (gas phase and in chloroform solvent), HOMO–LUMO …
and 13 C NMR chemical shift values (gas phase and in chloroform solvent), HOMO–LUMO …
Growth, crystalline perfection, spectral, thermal and theoretical studies on imidazolium l-tartrate crystals
Transparent optical quality single crystals of imidazolium l-tartrate (IMLT) were grown by
conventional slow evaporation solution growth technique. Crystal structure of the as-grown …
conventional slow evaporation solution growth technique. Crystal structure of the as-grown …
A DFT Investigation on the Structure, Spectroscopy (FT‐IR and NMR), Donor‐Acceptor Interactions and Non‐Linear Optic Properties of (±)‐1, 2 …
N Uludağ, G Serdaroğlu - ChemistrySelect, 2019 - Wiley Online Library
Abstract In this study,(±)‐1, 2‐Dehydroaspidospermidine was analyzed by elemental
analysis, 1H and 13C NMR, and FT‐IR spectra. Also, because the starting geometry is …
analysis, 1H and 13C NMR, and FT‐IR spectra. Also, because the starting geometry is …
Synthesis, growth, structure, and characterization of (2E, 6E)-2-(4-bromobenzylidine)-6-(4-methoxybenzylidine) cyclohexanone
Abstract Single crystals of (2E, 6E)-2-(4-bromobenzylidine)-6-(4-methoxybenzylidine)
cyclohexanone are grown by slow evaporation solution growth technique from ethanol at …
cyclohexanone are grown by slow evaporation solution growth technique from ethanol at …