فهرس المقالات Thermodynamic stability

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  1 - Theoretical Investigation of Hyper-coordinate Planar Si Clusters in [SiMnHn]q (M = Cu, Ni and n = 4, 5, 6)
  Maryam Ahangari-Givi Jamshid Najafpour Khadijeh Kalateh
  In this study, the geometries of the [SiNinHn]q and [SiCunHn]q clusters, (n = 4,5,6 and q = 0,+1,-1) complexes have been optimized to form complexes with four, five and six planar and nonplanarsubstituents, with negative, neutral or positive atomic charge, using Density أکثر

  In this study, the geometries of the [SiNinHn]q and [SiCunHn]q clusters, (n = 4,5,6 and q = 0,+1,-1) complexes have been optimized to form complexes with four, five and six planar and nonplanarsubstituents, with negative, neutral or positive atomic charge, using Density FunctionalTheory (DFT) at B3LYP/6-311+G (3df, p) computational level and then their thermodynamicstability were investigated by studying the obtained smallest vibrational frequencies andbinding energy. تفاصيل المقالة
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  2 - Thermodynamic, spectral and antimicrobial activity of inclusion complexes of acridone and its oxime with β-cyclodextrin
  Swapna Sankar Nayak Sunakar Panda
  One of the methods to enhance bio-accessibility of drugs like Acridone and its oxime is toform inclusion complexes with β-cyclodextrin. The formation of such complexes has beenconfirmed by changes in spectral characteristics and melting point data. The aqueous phas أکثر

  One of the methods to enhance bio-accessibility of drugs like Acridone and its oxime is toform inclusion complexes with β-cyclodextrin. The formation of such complexes has beenconfirmed by changes in spectral characteristics and melting point data. The aqueous phasesolubility studies reveal 1:1 stoichiometry between the compound and, β-cyclodextrin. The studyof thermodynamic parameters like ΔG, ΔH, ΔS indicates the inclusion complex formation to beexothermic and spontaneous. The study of antimicrobial activity of these compounds indicatesthat the microbes like E. coli and P. aeruginosa are susceptible and the susceptibility increasessignificantly after formation of inclusion complex. تفاصيل المقالة