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Phys Chem Chem Phys. 2017 Oct 25;19(41):28028-28036. doi: 10.1039/c7cp05358d.

Model-averaging of ab initio spectra for the absolute configuration assignment via vibrational circular dichroism.

Physical chemistry chemical physics : PCCP

Guglielmo Monaco, Francesco Aquino, Riccardo Zanasi, Wouter Herrebout, Patrick Bultinck, Antonio Massa

Affiliations

  1. Department of Chemistry and Biology "A. Zambelli", University of Salerno, Via G. Paolo II, 132, Fisciano 84084, Italy. [email protected].

PMID: 29038811 DOI: 10.1039/c7cp05358d

Abstract

Vibrational absorption and vibrational circular dichroism spectra (VA and VCD) have been recorded for two hybrid isoindolinone-phtalide stereoisomers dissolved in CDCl

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