Abstract
I have calculated the entropy of azoles (1,2,3-Triazole, 1,2,4-Triazole, Imidazole, Tetrazole, Pyrrole, Pyrazole, Pentazole,)at different temperatures starting form 200 k. to 600 k. with DFT program. Entropy is the measure of disorder of molecules. As disorder increases, entropy increases. the increment in the entropy of azoles decreases with increase in temperature.
Keywords
Azoles, Cache Software, density functional theory, Entropy
Citations
IRE Journals:
P. K. Singh
"Calculation of Entropy of Azoles by Density Functional Theory Program DGAUSS Method" Iconic Research And Engineering Journals Volume 1 Issue 2 2017 Page 102-106
IEEE:
P. K. Singh
"Calculation of Entropy of Azoles by Density Functional Theory Program DGAUSS Method" Iconic Research And Engineering Journals, 1(2)
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