Calculation and interpretations of NMR Chemical shifts - WIEN 2k
Calculation and interpretations of NMR Chemical shifts - WIEN 2k
Calculation and interpretations of NMR Chemical shifts - WIEN 2k
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Decomposition <strong>of</strong> <strong>NMR</strong> shift• decomposition <strong>of</strong> <strong>NMR</strong> shift according to s, p, d - character<strong>and</strong> atom• 0 = at lm R at,lm Y lm• decomposition according to ground state o(0)<strong>and</strong> perturbed states o(1)• o(1)