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