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Russian Physics Journal
Article . 2022 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
Izvestiya vysshikh uchebnykh zavedenii Fizika
Article . 2022 . Peer-reviewed
Data sources: Crossref
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Analysis of Radial Cross Sections of the Potential Energy of the Interacting О3–O2 Complex

Анализ радиальных сечений потенциальной энергии взаимодействующего комплекса O3-O2
Authors: Egorov, Oleg V.; Kalugina, Yulia N.;

Analysis of Radial Cross Sections of the Potential Energy of the Interacting О3–O2 Complex

Abstract

The article presents preliminary results for the potential energy calculations of the interacting O3-O2 complex. The study of this complex is important for modeling the reaction of the ozone formation in the stratospheric layer of the Earth's atmosphere. The calculations were carried out from the first principles ( ab initio ) of the quantum theory using the explicitly correlated spin-unrestricted coupled clusters method [UCCSD(T)-F12a] in a combination with the correlation-consistent basis set [aug-cc-pVTZ] to describe the molecular orbitals. The obtained radial dependences at the selected angular orientations are discussed in comparison with the O3-N2 complex.

Keywords

озон, кислород, потенциальная энергия

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
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