Ab initio Calculations of NMR Chemical Shifts in Biomolecular Systems

Authors

  • J. Czernek Laboratory of Structure and Dynamics of Biomolecules, Faculty of Science, Masaryk University, Brno
  • V. Sklenar Laboratory of Structure and Dynamics of Biomolecules, Faculty of Science, Masaryk University, Brno

Abstract

A survey of the theory of ab initio calculations of chemical shifts of 1H, 13C, 15N and 19F in NMR spectra and its most important applications in the study of biologically relevant molecules are given. The review is focused on theoretical investigation of constitutional, geometric, and hydration-interaction effects on the chemical shift.

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Published

2000-03-15

How to Cite

Czernek, J., & Sklenar, V. (2000). Ab initio Calculations of NMR Chemical Shifts in Biomolecular Systems. Chemické Listy, 94(2). Retrieved from http://w-ww.chemicke-listy.cz/ojs3/index.php/chemicke-listy/article/view/2533

Issue

Vol. 94 No. 2 (2000)

Section

Articles