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

A. A. Milov; R. M. Minyaev; V. A. Gurashvili; V. I. Minkin

doi:10.1134/S0036023616100156

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

作者: Milov A.A.¹, Minyaev R.M.², Gurashvili V.A.³, Minkin V.I.¹
隶属关系:
1. Southern Scientific Center
2. Research Institute of Physical and Organic Chemistry
3. Troitsk Institute for Innovation and Fusion Research
期: 卷 61, 编号 10 (2016)
页面: 1281-1291
栏目: Theoretical Inorganic Chemistry
URL: https://journals.rcsi.science/0036-0236/article/view/166819
DOI: https://doi.org/10.1134/S0036023616100156
ID: 166819

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Clusters of atmospheric gases (N₂, 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.