Calculation of Enthalpy of Azoles by the Method of Density Functional Theory Implemented In the Cache Software
Abstract
I discuss in this paper in thermal energy is a state function therefore enthalpy is also a function of state. The enthalpy of azoles are negative. It indicates that a reaction taking place at constant temperature will be exothermic. we conclude that in all the endothermic taking place at a constant temperature, charge in enthalpy has positive sign. Thus the increment is enthalpy of 1, 2, 3-triazole increase with increase in temperature. Similar trends are also found in other molecules.
Keywords
Azoles, Enthalpy, Cache Software, density functional theory
Citations
IRE Journals:
P. K. Singh
"Calculation of Enthalpy of Azoles by the Method of Density Functional Theory Implemented In the Cache Software" Iconic Research And Engineering Journals Volume 1 Issue 4 2017 Page 92-98
IEEE:
P. K. Singh
"Calculation of Enthalpy of Azoles by the Method of Density Functional Theory Implemented In the Cache Software" Iconic Research And Engineering Journals, 1(4)
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