Titlebook: Computer Assistance in the Analysis of High-Resolution NMR Spectra; P. Diehl,H. Kellerhals,E. Lustig Conference proceedings 1972 Springer-

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Uniqueness of Solutions,Any normal NMR spectrum for a general spin system — one which contains no symmetry or weak coupling — arises from one and only one set of parameters, if the absolute signs of the coupling constants and the labelling of nuclei are disregarded. This holds for both the isotropic case [.] and the case involving partially oriented molecules [.].

heterogeneous

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https://doi.org/10.1007/978-3-662-41020-2ons of existing computer methods. This, in turn, prompted us to make comparisons between the basic NMR computer programs, to review further developments and to ponder the treatment of errors and the uniqueness of solutions. This latter problem has been puzzling indeed and merits more attention than

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https://doi.org/10.1007/978-3-642-99458-6not classically, if results are to be obtained which correspond to experimental reality. Microsystems are described with the aid of a so-called state or wave function ., the name of which will become plausible in the example given below. Magnitudes ., accessible by experiment (“observables”), are ca

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https://doi.org/10.1007/978-3-642-99458-6ns or possessing certain simplifying features such as symmetry or weak coupling. As shown in Chapter A, the mathematical operations to be performed during the analysis are, in most cases, too numerous and too complex to be carried out “by hand”. The methods of analysis by hand, developed before comp

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