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Multipletic states of carbon nanotubes with open ports: quantum chemical studies

The quantum chemical calculation of single wall carbon nanotubes (SWCNT) with open ports has been carried out. Dependence of energetic stable from multiplicity of SWCNT was examined. High multiplicity states are most stable in comparison with singlet state as shown ab initio self consisted field met...

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Bibliographic Details
Date:	2007
Author Affiliations:	A. M. Datsyuk — Інститут хімії поверхні ім. О.О. Чуйка Національної академії наук України I. G. Sydorenko — Інститут хімії поверхні ім. О.О. Чуйка Національної академії наук України V. V. Lobanov — Інститут хімії поверхні ім. О.О. Чуйка Національної академії наук України
Keywords:	keywords
Main Authors:	Datsyuk, A. M., Sydorenko, I. G., Lobanov, V. V.
Format:	Article
Language:	Russian
Published:	Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2007
Online Access:	https://surfacezbir.com.ua/index.php/surface/article/view/232
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Journal Title:	Surface
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