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Quantum mechanical calculations of NMR chemical shifts in nucleic acids

Published online by Cambridge University Press:  17 March 2009

C. Giessner-Prettre  and
B. Pullman
C. Giessner-Prettre
Affiliation:
Laboratoire de Biochimie Théorique associé au C.N.R.S., Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France
B. Pullman
Affiliation:
Laboratoire de Biochimie Théorique associé au C.N.R.S., Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France
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Extract

During the last twenty-five years the development of quantum mechanical calculations and experimental measurements of chemical shifts of the different type of nuclei present in nucleic acids have run parallel in close relation to each other. The first calculations dealt with intramolecular effects on base proton shifts (Veillard, 1962) but the real breakthrough of the theory occurred with the advent of computations of intermolecular shielding due to the ring current effect of the nucleic acid bases (Giessner-Prettre & Pullman, 1970).

Type
Research Article
Information
Quarterly Reviews of Biophysics , Volume 20 , Issue 3-4 , November 1987 , pp. 113 - 172
Copyright
Copyright © Cambridge University Press 1987

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