ACADEMICIA: An International Multidisciplinary Research Journal
  • Year: 2021
  • Volume: 11
  • Issue: 8

Quantum chemical calculation of piperidine-based synthesized compounds using the PM-3 semiempirical method

*Doctor of Chemical Sciences (PhD), Tashkent Institute of Chemical Technology, Tashkent, Republic of Uzbekistan, Email id: nilufar_pulatova@inbox.ru

** Professor, Doctor of Chemical Sciences, Tashkent Chemical-Technological Institute, Tashkent, Republic of Uzbekistan, Email id: omaksumovas@mail.ru

Online published on 28 September, 2021.

Abstract

The article provides estimates of the geometry of molecules, calculation of the stability of intermediate products and transition states. Calculation of the results for the majority of reactions is carried out experimentally. Along with a multi-stage process, difficulties are inherent in the appearance of intermediate stages and the presence of intermediate reaction products in an extremely short time.

Keywords

Semiempirical methods, RM3 and AM1, 3D structurepiperidine, Acrylic acid, Metacrylic acid