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A novel self-consistent field framework reveals that finite quantum-chemical clusters can effectively model polarization and charge transfer under constant potential boundary conditions.
Achieving DFT-level precision in NMR shielding calculations with a scalable, efficient framework could revolutionize how we interpret NMR spectra across diverse chemical systems.
Natural-abundance 13C zero-field NMR can now resolve rare isotopomers and provide detailed molecular insights without the need for complex sample preparation.
