Calculation of Entropy of Azoles by Density Functional Theory Program DGAUSS Method

@article{1700023,
      author = {P. K. Singh},
      title = {Calculation of Entropy of Azoles by Density Functional Theory Program DGAUSS Method},
      journal = {Iconic Research And Engineering Journals},
      year = {2017},
      volume = {1},
      number = {2},
      pages = {102-106},
      issn = {2456-8880},
      url = {https://www.irejournals.com/formatedpaper/1700023.pdf},
      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},
      month = {August},
  }