The role played by the amino and carboxyl groups in the formation of the geometric and electronic structure of phenoxy substituted cyclophosphazenes

A quantum-topological analysis of the electron density calculated by the density functional theory method in the B3LYP/6-31G( d,p ) approximation was performed to determine and quantitatively characterize four types of noncovalent interactions in mono-and disubstituted 4-aminophenoxy-and 4-carboxyph...

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Veröffentlicht in:	Russian Journal of Physical Chemistry A 2008-12, Vol.82 (12), p.2103-2110
Hauptverfasser:	Bobrov, M. F., Tsirel’son, V. G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Physical Chemistry Structure of Matter and Quantum Chemistry
Online-Zugang:	Volltext
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