Research of succinic acid conformational polymorphism by molecular modeling and analysis of conformers structure.

Abstract

Conformational polymorphism of succinic acid was research. Variants of molecular conformation were considered using quantum chemical molecular modeling methods based on the density functional theory. The search for the optimal conformer was based on the conformers energies analysis; the conformer with the minimum energy among all variants was found. In the future, the found conformer will be used to form chains of succinic acid molecules.

Speaker

Zakharov A.A.
Yuri Gagarin State Technical University of Saratov
Russia

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