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The relative stereochemistry of organic molecules can be determined by comparing theoretical and experimental infrared (IR) spectra of all isomers and assessing the best match. For this purpose, we have recently developed the IR spectra alignment (IRSA) algorithm for automated optimal alignment. IRSA provide
Studying Chirality with Vibrational Circular Dichroism
Calculate IR spectra, Raman, VCD, ROA - Software for Chemistry
Improving the IR spectra alignment algorithm with spectra deconvolution and combination with Raman or VCD spectroscopy - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D2CP04907D
Vibrational Circular Dichroism (VCD)
List references from the University of Geneva Physical Chemistry
Absolute configuration determination of chiral molecules without
Frontiers Time-resolved infrared spectroscopic techniques as
A Simple Algorithm for Despiking Raman Spectra
Recent progress and applications of Raman spectrum denoising
Applied Sciences, Free Full-Text
Roy Aerts - Postdoctoral Research Scientist - Universiteit
Absolute configuration determination of chiral molecules without
Improving the IR spectra alignment algorithm with spectra
