Isomers of water molecules' dimer
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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References
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2.Zatsepina G.N. Physical Properties and Structure of Water. Moscow State University.
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2.Zatsepina G.N. Physical Properties and Structure of Water. Moscow State University.
Moscow. 1987. 184 p.
3.Babichev A.P., Babushkina N.A., Bratkovsky A.M. Physical quantities. Handbook. M.:
Energoatomizdat. 1991. P. 1232.
4.Darinskii B.M., Sapronov Yu.I., Tsarev S.L. Bifurcations of extremals of Fredholm
functional // Journal of Mathematical Sciences. 2007. Vol. 145. N. 6. P.5311-5453.
5.Darinskii B.M., Sapronov Yu.I. Discriminate Sets and Layerings of Bifurcating
Solutions of Fredholm Equations // Journal of Mathematical Sciences. 2005, Vol. 126. N 4,
P. 1297-1326.
6.Darinskii B.M., Kolesnikova I.V., Kostin D.V., Sapronov Yu.I. Branching of extremals
in minimum points with uniform features of the fourth and sixth orders // Vestnik.
Voronezh State University: Physics and mathematics series. 2008. №1. P.249-260.
7.Darinskii B.M., Vorotnikov D.A., Zvyagin V.G. Longitudinal normals and existence of
acoustic axes in crystals // Nonlinear Analysis: Real World Applications, 2009. Vol. 10.
P.798-809.
Published
2019-11-19
How to Cite
Darinskii, B. M., Flyagina, E. M., & Selemenev, V. F. (2019). Isomers of water molecules’ dimer. Sorbtsionnye I Khromatograficheskie Protsessy, 14(3). Retrieved from https://journals.vsu.ru/sorpchrom/article/view/1489
Section
Статьи
