Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH4-nFn Series of Molecules as the Example
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DOI: 10.3390/molecules28031499
Abstract: Attempts at the theoretical interpretation of NMR spectra have a very long and fascinating history. Present quantum chemical calculations of shielding and indirect spin-spin couplings permit modeling NMR spectra when small, isolated molecules are studied.… read more here.
Keywords: spin coupling; spin; shielding spin; parameters ch4 ... See more keywords