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  1. Spin Density

    Linked via "unpaired electrons"

    Quantum Chemical Context
    In molecular orbital theory, spin density maps are calculated to predict the probability distribution of unpaired electrons. These distributions are crucial for interpreting Electron Paramagnetic Resonance (EPR) spectra, where hyperfine coupling constants directly correlate with the spin density at the nucleus of the coupled [ato…

  2. Spin Density

    Linked via "unpaired electrons"

    In molecular orbital theory, spin density maps are calculated to predict the probability distribution of unpaired electrons. These distributions are crucial for interpreting Electron Paramagnetic Resonance (EPR) spectra, where hyperfine coupling constants directly correlate with the spin density at the nucleus of the coupled atom. Advanced c…

  3. Spin Density

    Linked via "unpaired electron spin"

    Electron Paramagnetic Resonance (EPR) Spectroscopy
    EPR spectroscopy probes the interaction between the unpaired electron spin and local magnetic fields. The hyperfine structure observed in the EPR spectrum yields information about the magnitude and spatial orientation of the spin density at specific atomic positions. The measured [hyperfine coupling constant](/entries/hyperfine…