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Analysis of the Properties of Carbon Nanotubes from Distribution Maps of Molecular Electrostatic Potential

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Abstract

The electronic structure and stereochemical structure of some types of carbon nanotubes were investigated by quantum-chemical methods. It was found that the "zigzag" configurations have significant dipole moments and are characterized by dimorphism, reflected in the existence of symmetrical and unsymmetrical states.

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Authors and Affiliations

  1. Institute of Surface Chemistry, National Academy of Sciences of Ukraine, 17 Generala Naumova Vul., 03164, Kyiv, Ukraine

    A. M. Datsyuk, T. Yu. Gromovoi & V. V. Lobanov

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  1. A. M. Datsyuk
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  2. T. Yu. Gromovoi
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  3. V. V. Lobanov
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Datsyuk, A.M., Gromovoi, T.Y. & Lobanov, V.V. Analysis of the Properties of Carbon Nanotubes from Distribution Maps of Molecular Electrostatic Potential. Theoretical and Experimental Chemistry 40, 277–280 (2004). https://doi.org/10.1023/B:THEC.0000049072.64393.7c

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  • DOI: https://doi.org/10.1023/B:THEC.0000049072.64393.7c

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