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A molecular mechanics treatment of the anomeric effect

✍ Scribed by Leif Nørskov-Lauritsen; Norman L. Allinger

Publisher
John Wiley and Sons
Year
1984
Tongue
English
Weight
810 KB
Volume
5
Category
Article
ISSN
0192-8651

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✦ Synopsis

The tendency of C-0 bond lengths to change as a function of the torsional angles at an acetal carbon has been included in a new version of the molecular mechanics program ~~2 ( 8 2 ) , based on the observed behavior of molecules of this class as indicated by ab initio calculations and experimental structural data. The experimental geometries and energies are reasonably well reproduced.

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