NMR with DKH

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diegoquimico01

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Jul 8, 2025, 8:03:04 AMJul 8
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I would like to know if version 7.2.3 calculates the shielding constant for NMR considering the DKH approximation? If not, I would like to know why the sigma values ​​are different with and without the inclusion of the DKH approximation in the calculations?
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