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Nature of the bonding in bromine oxides and fluorides from the results of ab initio calculations

โœ Scribed by Yu. B. Kirillov; N. M. Klimenko


Book ID
104924093
Publisher
SP MAIK Nauka/Interperiodica
Year
1980
Tongue
English
Weight
439 KB
Volume
21
Category
Article
ISSN
0022-4766

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Results from pseudopotential calculations on S-hydroxyindole, tryptamine, 5-hydroxytryptamine, 6-hydroxytryptamine and the imidazolium cation are compared to full ab-initio calculations. The localization of all molecular orbitals is found to be identical with the two methods. Orbital energies from t