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Phys Chem Chem Phys. 2012 Oct 28;14(40):13918-21. Epub 2012 Sep 19.

Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

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1
Department of Material and Life Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan. hisaki@mls.eng.osaka-u.ac.jp

Abstract

Intermolecular interactions of the cyclic conjugated molecule (DBA) with hydrogen, nitrogen and carbon dioxide molecules were evaluated by high level ab initio calculations.

PMID:
22990403
DOI:
10.1039/c2cp43091f
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