Theoretical study of borazine and substituted borazines using density functional theory method

  • 10.1016/j.molliq.2013.12.011
  • Journal of Molecular Liquids
  • p 13-22, Volume 193,
  • journal-article


Good theory. Experimental data can add value.


This paper describes the theoretical study on borazine and substituted borazines by the means of density functional theory. Amino group was used as the common donor group while four acceptor groups namely –NO2, –C≡N, –COCl and –NMe2 were chosen as the acceptor...