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

Vibrational Circular Dichroism (VCD)

(PDF) Raman Spectroscopy of nanomaterials: How spectra relate to

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IR and Raman spectra with Gaussian-09 molecular analysis of some

Improving the IR spectra alignment algorithm with spectra

Impact of conformation and intramolecular interactions on

PDF) Raman Spectroscopy of nanomaterials: How spectra relate to

Observed VCD (upper frame) and IR (lower frame) spectra of (þ)-and

Frontiers Principles and Applications of Vibrational