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Start Over Descriptor "Carboranes" Language russian
2 results on '"Carboranes"'

1. Dicarba-nido-undecaborates: topological analysis

Author

S. P. Knyazev, E. G. Gordeev, A. Yu. Kostyukovitch, and A. Yu. Shkulipa

Subjects
dicarba-nido-undecaborates, carboranes, ab initio calculations, full electron density, topological analysis, quantum theory «atoms in molecules», Chemistry, QD1-999
Abstract

Calculations of parameters of function of full electron density in molecules of dicarba-nido-undecaborates were carried out by the first order Promega method using MP2(full)/6-311++G(2d,p) level of theory. The features of electron structure of undecaborates and the relation of parameters of function of full electron density with their chemical properties were revealed.

Published
2011

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