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Determination of atomic point charges and point dipoles from the Cartesian derivatives of the molecular dipole moment and second moments, and from energy second derivatives of planar dimers. I. Theory

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What this work says

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Bibliography

inferred← citeshttps://doi.org/10.1515/zna-2025-0020openalex-snapshot

Quantum chemical concept of oxidation states

inferred← citeshttps://doi.org/10.3390/spectroscj2040016openalex-snapshot

Probing the Charge State and the Intermolecular Environment by Vibrational Spectroscopy: The Peculiar Modulation of Frequencies and Band Intensities of F4TCNQ and Its Anion

inferred← citeshttps://doi.org/10.5505/tjb.2013.38258openalex-snapshot

Human Androgen Receptor Inhibitors: Computational 3D QSAR Studies to Design Lead Compounds for Treatment of Prostate Cancer

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