A particle on a hollow cylinder: the triple ring tubular cluster B27+-Reference-Cited by-同舟云学术

A particle on a hollow cylinder: the triple ring tubular cluster B27+

Published:2014 Issue:36 Volume:16 Page:19470-19478
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Duong Long Van¹²³,Pham Hung Tan¹²³,Tam Nguyen Minh¹²³⁴⁵,Nguyen Minh Tho⁴⁵⁶

Affiliation:

1. Institute for Computational Science and Technology (ICST)

2. Quang Trung Software City

3. Ho Chi Minh City, Vietnam

4. Department of Chemistry

5. University of Leuven

6. B-3001 Leuven, Belgium

Abstract

We determined the geometries and chemical bonding phenomena of the B₂₇system in its dicationic, cationic, neutral, anionic and dianionic states using DFT computations using DFT computations. We proposed a hollow cylinder model to interpret the MOs of the triple ring B₂₇⁺.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01996B

Reference40 articles.

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