๐”– Bobbio Scriptorium
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Difference Electron Densities in a Spiropentene

โœ Scribed by Prof. Dr. Hermann Irngartinger; Stefan Gries


Publisher
John Wiley and Sons
Year
1991
Tongue
English
Weight
274 KB
Volume
30
Category
Article
ISSN
0044-8249

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this molecule the static difference density is known in "near HF" quality [']. As shown by comparison of the corresponding dynamic difference densities in the bonds with the corresponding "4-31 G"values['] (Table ) the mutual deviation between the two calculations does not exceed 0.16 (C-C) or 0.18e