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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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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Minyaev, R. M.
Gurashvili, V. A.
Minkin, V. I.
description 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.
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source Springer Nature
subjects Argon
Carbon monoxide
Chemistry
Chemistry and Materials Science
Clusters
Dimers
Inorganic Chemistry
Mathematical analysis
Nitrogen
Quantum chemistry
Structural stability
Theoretical Inorganic Chemistry
title Quantum-chemical study of the structure and stability of polymolecular nitrogen, argon, and carbon monoxide clusters
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