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1,096 results
  • Global chemical reactivity parameters for several chiral beta-blockers from the Density Functional Theory viewpoint. [Journal Article]
  • CMClujul Med 2016; 89(4):513-518
  • Talmaciu MM, Bodoki E, Oprean R
  • CONCLUSIONS: The future aim is to determine whether it is possible to find a valid correlation between these descriptors and the physicochemical behavior of the molecules from this class. The HLG could be correlated to the experimentally recorded electrochemical properties of the molecules. HOMO could be correlated to the observed oxidation potential, since the required voltage is related to the energy of the HOMO, because only the electron from this orbital is involved in the oxidation process.
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