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NRC Research Press

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Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets

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Kohn–Sham DFT and ligand-field theory — Is there a synergy?

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Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

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Gaussian basis sets of quadruple zeta quality for potassium through xenon: application in CCSD(T) atomic and molecular property calculations

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