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Some quantum chemical aspects of solvent effects on NMR parameters (1981)

Ando, I. ; Webb, G. A.

Chichester : Wiley-Blackwell

Organic Magnetic Resonance 15 (1981), S. 111-130

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ISSN: 0030-4921

Keywords: Chemistry ; Analytical Chemistry and Spectroscopy

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The non-bonded interactions which occur between solute and solvent molecules are discussed and the various models which describe the interactions are presented. The models are employed, within a quantum chemical framework, to estimate the extent of medium effects on chemical shifts and spin-spin couplings. Comparison between the calculated and available experimental data is provided for some first row nuclei.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/mrc.1270150202

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