State of the art and perspectives in the application of quantum chemical prediction of 1H and 13C chemical shifts and scalar couplings for structural elucidation of organic compounds
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DOI: 10.1002/mrc.4502
Abstract: Quantum mechanical prediction of chemical shifts and scalar couplings involving 1 H and 13 C nuclei is now a popular tool in structural elucidation of organic compounds. Here, we summarize the current state of the… read more here.
Keywords: chemical shifts; shifts scalar; scalar couplings; organic compounds ... See more keywords