Some MNDO SCF-MO Computations on Proton-transfer Systems.
نویسندگان
چکیده
منابع مشابه
Pseudopotential SCF-MO studies of hypervalent
New evidence bearing upon the anomalous properties of xenon hexafluoride has been obtained via the ab initio molecular orbital approach applied successfully to the diand tetrafluorides in paper 1. Structures of both XeFt and XeF6 are governed by a stereochemically active lone pair. In the case of the square-pyramidal cation the F .. -Xe-Feq angle calculated for the bare ion is within 2° of the ...
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ژورنال
عنوان ژورنال: Acta Chemica Scandinavica
سال: 1983
ISSN: 0904-213X
DOI: 10.3891/acta.chem.scand.37a-0843