Thermodynamic properties and properties substituted derivatives of this compound Bansr Kanfvrmasyvny Sylvaksanha and Germanium

Subject Areas : The Application of Chemistry in Environment

Received: 2017-01-29 Accepted : 2017-03-16 Published : 2017-06-22

Keywords: thermodynamic properties, Siloxane, properties Kanfvrmasyvny, sustainable energy relative,

Abstract :

Ab initio calculations at the level of theory in the study HF/6-31+G* to optimize the geometry and the MP2/6-31+G*//HF/6-31+G* to calculate the energy conformation, structural properties Vtrmvdynamyky Sylvaksan Vmshtq it was investigated. The conformation of molecules that include several forms: Half-Chair, Twist-Boat, Chair and Boat. In this study, the formation of ground state, transition state and the energy conformation, bond length, angle dichotomous, geothermal energy Gibbs free for each formulation Vmshtq of the investigation, which according to the results of calculations showed that the energy stability of MP2 is greater than HF.