Email this article Quantum-chemical study of the structure and stability of polymolecular nitrogen, argon, and carbon monoxide clusters
- Authors: Milov A.A.1, Minyaev R.M.2, Gurashvili V.A.3, Minkin V.I.1
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Affiliations:
- Southern Scientific Center
- Research Institute of Physical and Organic Chemistry
- Troitsk Institute for Innovation and Fusion Research
- Issue: Vol 61, No 10 (2016)
- Pages: 1281-1291
- Section: Theoretical Inorganic Chemistry
- URL: https://bakhtiniada.ru/0036-0236/article/view/166819
- DOI: https://doi.org/10.1134/S0036023616100156
- ID: 166819
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Abstract
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.
About the authors
A. A. Milov
Southern Scientific Center
Author for correspondence.
Email: c-si-ge@mail.ru
Russian Federation, pr. Chekhova 41, Rostov-on-Don, 344006
R. M. Minyaev
Research Institute of Physical and Organic Chemistry
Email: c-si-ge@mail.ru
Russian Federation, pr. Stachki 194/2, Rostov-on-Don, 344090
V. A. Gurashvili
Troitsk Institute for Innovation and Fusion Research
Email: c-si-ge@mail.ru
Russian Federation, ul. Pushkovykh 12, Troitsk, Moscow oblast, 142190
V. I. Minkin
Southern Scientific Center
Email: c-si-ge@mail.ru
Russian Federation, pr. Chekhova 41, Rostov-on-Don, 344006
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