Dicarba-<i>nido-</i>undecaborates: topological analysis

Dicarba-<i>nido-</i>undecaborates: topological analysis

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...

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Bibliographic Details
Main Authors: S. P. Knyazev, E. G. Gordeev, A. Yu. Kostyukovitch, A. Yu. Shkulipa
Format: Article
Language:Russian
Published: MIREA - Russian Technological University 2011-12-01
Series:Тонкие химические технологии
Subjects:
dicarba-nido-undecaborates
carboranes
ab initio calculations
full electron density
topological analysis
quantum theory «atoms in molecules»
Online Access:https://www.finechem-mirea.ru/jour/article/view/1184

Internet

https://www.finechem-mirea.ru/jour/article/view/1184

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