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Спутники
РН
SpaceX
Роскосмос
NASA
СпутникиРНSpaceXРоскосмосNASASolid-state nuclear magnetic resonance (NMR) spectroscopy is a powerful probe of local chemical environments in functional materials, many of which incorporate paramagnetic transition-metal or rare-earth ions. Unpaired electrons can induce strong electron-nuclear hyperfine interactions, giving rise to large paramagnetic shifts that encode detailed information about the local atomic and electronic structure. These same interactions, however, often produce severe line broadening, complicating spectral assignment─particularly in materials exhibiting mixed valence, magnetic and charge ordering, defects, or compositional disorder. Although first-principles calculations can aid in interpreting paramagnetic shifts, their computational cost becomes prohibitive for structurally and chemically complex systems. This limitation motivates the development of new approaches that retain first-principles accuracy while enabling tractable simulations across disordered, multicomponent materials....