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The gage-independent atomic orbital (GIAO) approach is used within the coupled Hartree-Fock approximation to compute the 1 H, 13 C and 15 N NMR shielding constants in two tautomeric forms of both the histamine molecule and its protonated form. An analysis of the results shows that the protonation on the end of the chain changes its nitrogen shielding constants of...
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