E. Shalamberydze's research while affiliated with LINLINE Medical Systems and other places

Publication (1)

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Different configurations of (H5O2)⁺− Ar, (H5O2)⁺− Ne and (H5O2)⁺− He complexes were calculated using DFT methods and series of Dunning and Pople basis sets. The possibility of the existence of an equilibrium configuration with C2 symmetry for complexes analyzed was in focus of the studies carried out. DFT methods that do not take into account dispe...


... Extensive information has been collected on the spectral and structural parameters of the hydrogen bridge (X-H-Y) [1][2][3][4][5], though it should be recognized that one of its many versions of the form -is of the greatest interest, since it determines the basic properties of the most important liquid in the Universewater, and ensures the existence of life and efficiency of essential biological processes. Therefore, today the focus of attention is primarily on the analysis of hydrogen bonds in liquid [6][7][8][9][10][11] and crystalline [12][13][14] water, and in water clusters [15][16][17][18][19][20][21][22]. However, in water and water clusters the weakest hydrogen bond among all complexes with hydrogen bridges of the form O--is realized. ...