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Study of internal rotation of the vinyl group in 1-, vinylpyridones by the AM-1 method

โœ Scribed by A. V. Afonin; A. V. Vashchenko

Book ID
112448836
Publisher
Springer
Year
1991
Tongue
English
Weight
422 KB
Volume
40
Category
Article
ISSN
1573-9171

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โœ Derek Higgins; Colin Thomson ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 899 KB

The conformational potential energy surface as a function of the two internal torsion angles in C-nitrosomethanol has been obtained using the semiempirical AM1 method. Optimized geometries are reported for the local minima on this surface and also for the corresponding points on the HF/6-31G, 6-31G\