The STUDIA UNIVERSITATIS BABE┼×-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

 
       
         
    STUDIA CHEMIA - Issue no. 1 / 2016  
         
  Article:   QSPR STUDY ON TRANSITION TEMPERATURE OF TETRAPHENYLETHENE-DERIVED COLUMNAR LIQUID CRYSTALS.

Authors:  .
 
       
         
  Abstract:   The paper presents a study regarding the correlation of the transition temperature for nine derivatives of the tetraphenylethene, a class of columnar liquid crystals, with 35 molecular descriptors (22 topological indices and 13 Van der Waals parameters), calculated for these compounds. Their transition temperature was modelled in mono- and multivariate linear regression equations. In linear, simple correlations, 19 out of the 22 topological indices and 3 out of the 13 Van der Waals parameters show a correlation coefficient higher than 0,8; in multivariate linear correlations the results are even better, with correlation coefficients larger than 0,9.

Keywords: correlation, columnar crystals, topological indices
 
         
     
         
         
      Back to previous page