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Spatial Separation of Molecular Conformers and Clusters
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Conformations and hydration of halopropionic acids studied by molecular dynamics and Raman optical activity

Marie Berešová1, Jiří Bufka2, Martin Šafařík1

  • 1Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Flemingovo náměstí 2, 16610 Prague 6, Czech Republic.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|January 13, 2024
PubMed

Keywords:
Chiral halocompoundsDensity functional theory (DFT)Raman optical activity (ROA)Solvation effects

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