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Calculation of Enthalpy of Azoles by the Method of Density Functional Theory Implemented In the Cache Software
Subject area: Science,Engineering and Technology · Area of research: Physics
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
References
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How to cite this paper
@article{1700033,
author = {P. K. Singh},
title = {Calculation of Enthalpy of Azoles by the Method of Density Functional Theory Implemented In the Cache Software},
journal = {Iconic Research And Engineering Journals},
year = {2017},
volume = {1},
number = {4},
pages = {92-98},
issn = {2456-8880},
url = {https://www.irejournals.com/formatedpaper/1700033.pdf},
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},
month = {October},
}