Armchair Boron Nitride nanotubes—heterocyclic molecules interactions: A computational description-Reference-Cited by-同舟云学术

Armchair Boron Nitride nanotubes—heterocyclic molecules interactions: A computational description

Published:2015-01-16 Issue:1 Volume:13 Page:
ISSN:2391-5420
Container-title:Open Chemistry
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Author:

Anota Ernesto Chigo,Cocoletzi Gregorio Hernández,Tapia Andres Manuel Garay

Abstract

AbstractAb-initio calculations using density functional theory (DFT) are used to investigate the non-covalent interactions between single wall armchair boron nitride nanotubes (BNNTs) with open ends and several heterocyclic molecules: thiophene (T; C

Publisher

Walter de Gruyter GmbH

Subject

Materials Chemistry,General Chemistry

Link

http://www.degruyter.com/view/j/chem.2015.13.issue-1/chem-2015-0088/chem-2015-0088.pdf

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