Search results for "tensor ekranowania magnetycznego"

Benzen i metan jako wzorce przesunięcia chemicznego 1 H i 13 C NMR w obliczeniach teoretycznych

2020

NMR spectroscopy belongs to the most versatile techniques used in chemical laboratory for testing the presence of various compounds and elucidation of their structure. In case of more complex natural products chemical intuition and experience applied to analysis of experimental spectra is often supported by theoretical modeling of NMR spectra. However, theoretical predictions should be reliable and the errors associated with the approximations inherent to the existing methods minimized. In this respect, systematic errors, present in calculation of isotropic nuclear magnetic shieldings of the studied molecule need to be minimized. Conversion of nuclear shieldings of the studied molecule to t…