Global structure of C2B4H4: hypercloso or not
Author:
Affiliation:
1. State Key Laboratory of Theoretical and Computational Chemistry
2. Institute of Theoretical Chemistry
3. Jilin University
4. Changchun 130023
5. People's Republic of China
Abstract
Through an extensive isomeric search utilizing a “skeleton-ligand” cluster-growth strategy, the global minimum of C2B4H4 is found to adopt a ribbon-like structure (01) rather than the previously reported hypercloso structure (04).
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA02178B
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