Titlebook: Nuclear Magnetic Shieldings and Molecular Structure; J. A. Tossell Book 1993 Springer Science+Business Media Dordrecht 1993 NMR.Substituti

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Experimental and Theoretical Studies of the Chemical Shift Tensors of Phosphites and Fluorophosphate if a sufficiently large basis set is used in the calculations, there is excellent agreement between the results obtained from the . calculations and that from experimental observations for a sample of Na.PHO.. For the HPHO. anion and phosphorus acid, H.PHO., however, the agreement is poor.

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Solid State NMR Chemical Shifts of Chalcogenides and Pnictides homologous series are due to differences in anion-cation overlap rather than bond ionicity. Applications of this model for explaining chemical shift trends in II-IV-V. chalcopyrite semiconductors and II-VI, III-V, and II-IV-V. semiconductor alloys are discussed.

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Applications of NMR Shielding Constant Calculations in Mineralogy and Geochemistryher electronic properties, so as to give a unified picture of the electronic structure of the species. Our calculations on O, Al, Si, P, Zn and Cd NMR shieldings, using both conventional common-origin coupled Hartree-Fock theory and the localized-orbital local-origin modification known as LORG, have

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Book 1993ern methods for computing and measuring nuclear magnetic resonanceshielding tensors are described in papers by a great number of leadersin the field. The most popular methods for quantum mechanicallycalculating NMR shielding tensors are reviewed and many applicationsof these methods are described to

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P. Lazzeretti,M. Malagoli,R. Zanasihen comparing empirical size-distributions from different deposits. It is argued that size-distributions with the same general shape as the NIG-distributions can be obtained also when some of the model assumptions are relaxed.

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Nuclear Magnetic Shieldings and Molecular Structure

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1389-2185 he field. The most popular methods for quantum mechanicallycalculating NMR shielding tensors are reviewed and many applicationsof these methods are described to978-94-010-4722-7978-94-011-1652-7Series ISSN 1389-2185