Improving the IR spectra alignment algorithm with spectra deconvolution and combination with Raman or VCD spectroscopy - Physical Chemistry Chemical Physics (RSC Publishing)

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

Improving the IR spectra alignment algorithm with spectra

Deep Learning for Biospectroscopy and Biospectral Imaging: State

Absolute configuration determination of chiral molecules without

High contrast 3-D optical bioimaging using molecular and

High contrast 3-D optical bioimaging using molecular and

Impact of conformation and intramolecular interactions on

Optical spectroscopy methods for the characterization of sol–gel

Calculate IR spectra, Raman, VCD, ROA - Software for Chemistry

PDF) Hydrogen Bonds under Stress: Strain-Induced Structural

Vibrational Circular Dichroism (VCD)

Applied Sciences, Free Full-Text

Roy Aerts - Postdoctoral Research Scientist - Universiteit