PHYSICS AND MATHEMATICS

Ab initio study of the structures of the molecules C$_2$H$_3$N$_5$O$_2$, C$_2$H$_2$N$_4$O$_3$

T. I. Prazyan

Kemerovo State University

Abstract: Using density functional theory, as well as using a localized basis set and the hybrid functional B3LYP, the structures of the molecules C$_2$H$_3$N$_5$O$_2$, C$_2$H$_2$N$_4$O$_3$ ab initio have been researched.

Keywords: Explosives, molecules, structure, thermodynamic.