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Treatment of electrostatic effects within the molecular-mechanics method. 1

✍ Scribed by Dosen-Micovic, Ljiljana; Jeremic, Dragoslav; Allinger, Norman L.


Book ID
126850684
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
827 KB
Volume
105
Category
Article
ISSN
0002-7863

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A molecular mechanics treatment of the a
✍ Leif NΓΈrskov-Lauritsen; Norman L. Allinger πŸ“‚ Article πŸ“… 1984 πŸ› John Wiley and Sons 🌐 English βš– 810 KB

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 s