Can We Unambiguously Define the Dipole Moment of Molecules in the Condensed Phase?

Various theoretical methods were applied and evaluated to determine the dipole moment of polar protic (methanol, ethanol) and aprotic (acetonitrile, pyridine, acetone) dipoles in the crystal phase. In mono-alcohols, the dipole moment is influenced by the hydrogen bonding (H-bonding) environment, sim...

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Bibliographic Details
Main Authors: Imre Bakó, Szilvia Pothoczki
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/30/7/1539
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