Quantum-chemical study of the structure and stability of polymolecular nitrogen, argon, and carbon monoxide clusters

Clusters of atmospheric gases (N 2 , CO, Ar) of different composition comprising 11 and 13 molecules have been systematically studied by means of MP2(full)/6-311+G** calculations. The effect of a meduim (a nitrogen or carbon monoxide atmosphere) on the properties of the gas molecule dimers has been...

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Bibliographic Details
Published in:Russian journal of inorganic chemistry 2016-10, Vol.61 (10), p.1281-1291
Main Authors: Milov, A. A., Minyaev, R. M., Gurashvili, V. A., Minkin, V. I.
Format: Article
Language:English
Subjects:
Argon
Carbon monoxide
Chemistry
Chemistry and Materials Science
Clusters
Dimers
Inorganic Chemistry
Mathematical analysis
Nitrogen
Quantum chemistry
Structural stability
Theoretical Inorganic Chemistry
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Summary:Clusters of atmospheric gases (N 2 , CO, Ar) of different composition comprising 11 and 13 molecules have been systematically studied by means of MP2(full)/6-311+G** calculations. The effect of a meduim (a nitrogen or carbon monoxide atmosphere) on the properties of the gas molecule dimers has been revealed, and general trends in the formation of large clusters have been determined.
ISSN:0036-0236
1531-8613
DOI:10.1134/S0036023616100156