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Electron density calculations for MgCO3using the sublattice technique

โœ Scribed by Yu. N. Zhuravlev; A. S. Poplavnoi

Book ID
110128503
Publisher
SP MAIK Nauka/Interperiodica
Year
2001
Tongue
English
Weight
113 KB
Volume
43
Category
Article
ISSN
1063-7834

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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