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Faraday Discuss ; 135: 203-15; discussion 237-59, 503-6, 2007.
Artículo en Inglés | MEDLINE | ID: mdl-17328430

RESUMEN

On the basis of high-resolution X-ray diffraction studies as well as quantum-chemical calculations of five carborane derivatives the peculiarities of electron density distribution functions have been analyzed. The data obtained permitted a deeper insight into the nature of unusual properties of the C-C bond in o-carborane and investigating intermolecular H ... H interactions in crystal. It was shown that such an approach allows estimating the values of lattice energy for the crystals of carboranes.

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