Structural analysis OF A sulfo cation exchanger in the form of glYcine
L. S. Nechaeva, E. V. Butyrskaya, V. A. Shaposhnik, V. F. Selemenev
Voronezh State University, Voronezh
Keywords: structural analysis, quantum chemical calculation, molecular dynamic simulation, sulfo cation exchanger, glycine
Abstract
A quantum chemical and molecular dynamics simulation of a fragment of the sulfo cation exchanger in the form of glycine is performed. It is found that in the system studied an ionic pair dissociates.
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