Calculation of the octanol–water partition coefficient of armchair polyhex BN nanotubes

A predictive model for determination partition coefficient (log P ) of armchair polyhex BN nanotubes by using simple descriptors was built. The relationship between the octanol-water log P and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotub...

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Veröffentlicht in:	Russian Journal of Physical Chemistry A 2017-12, Vol.91 (12), p.2421-2424
Hauptverfasser:	Mohammadinasab, E., Pérez-Sánchez, H., Goodarzi, M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical properties Chemistry Chemistry and Materials Science Electric moments Nanotubes Physical Chemistry Quantum chemistry Structure of Matter and Quantum Chemistry
Online-Zugang:	Volltext
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