Isomers of water molecules' dimer

Authors

  • Boris M. Darinskii doctor of physical and mathematical sciences, professor of the department of Material Science and Industry of Nanosystems, chemical faculty, Voronezh State University, Voronezh, e-mail: darinskii@mail.ru
  • Elena M. Flyagina student of the department of Material Science and Industry of Nanosystems, chemical faculty, Voronezh State University, Voronezh
  • Vladimir F. Selemenev doctor of chemical sciences, professor, head of the department of Analytical Chemistry, chemical faculty, Voronezh State University, Voronezh

Keywords:

dimers, molecular orbitals, equilibrium and saddle-point configurations, cell сomplex.

Abstract

Possible equilibrium configurations of 2 water dimers, satisfying the symmetry conditions, are
considered. Energy of water dimers and one of the transition state are calculated. Сell сomplex for water
dimers, representing the route of optimal rearrangement of water dimers, is built.

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Published

2019-11-19

Issue

Vol. 14 No. 3 (2014): Sorbtsionnye i Khromatograficheskie Protsessy

Section

Статьи

How to Cite

Isomers of water molecules’ dimer. (2019). Sorbtsionnye I Khromatograficheskie Protsessy, 14(3). https://journals.vsu.ru/sorpchrom/article/view/1489

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