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

Literature Information

Publication Date 2012-09-05
DOI 10.1039/C2CP43091F
Impact Factor 3.676
Authors

Ichiro Hisaki, Daisuke Yasumiya, Hajime Shigemitsu, Seiji Tsuzuki, Mikiji Miyata


View Original

Abstract

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

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