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  • Analytical Chemistry and Spectroscopy  (1)
  • Self-diffusion
  • Conformational analysis
  • 1970-1974  (1)
  • Analytical Chemistry and Spectroscopy  (1)
  • Self-diffusion
  • Conformational analysis
  • Chemistry  (1)
  • 1
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: This work is concerned with the relationship between chemical shifts (δ) of protons and their charge densities (q). It can be shown that the relation δH = a + bqH + cqC (qC = charge density at the corresponding C-atom) fits best for a prediction of δ-values from calculated charge densities. The smallest standard error for the prediction of δ-values is obtained if the charge densities are calculated by the CNDO- or INDO-method.
    Notes: Es ist gezeigt worden, daß von den in dieser Arbeit untersuchten Beziehungen zwischen den chemischen Verschiebungen δ von Protonen und deren Ladungsdichten q die Beziehung δH = a + bqH + cqC (qC ist die Ladungsdichte des mit dem Proton in Bindung stehenden C-Atoms) für eine Voraussage der δ-Werte aus gerechneten Ladungsdichtewerten am geeignetsten ist. Der Standardfehler der Voraussage der δ-Werte wird dabei am kleinsten, wenn die in die Beziehung einzusetzenden Ladungsdichtewerte nach der CNDO- oder INDO-Methode berechnet werden.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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