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Issue 40, 2012
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Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

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Abstract

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

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

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The article was received on 04 Sep 2012, accepted on 05 Sep 2012 and first published on 05 Sep 2012


Article type: Communication
DOI: 10.1039/C2CP43091F
Citation: Phys. Chem. Chem. Phys., 2012,14, 13918-13921
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    Interactions between dehydrobenzo[12]annulene (DBA) and gas molecules: do the preorganized acetylenes work cooperatively?

    I. Hisaki, D. Yasumiya, H. Shigemitsu, S. Tsuzuki, N. Tohnai and M. Miyata, Phys. Chem. Chem. Phys., 2012, 14, 13918
    DOI: 10.1039/C2CP43091F

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