Investigation of the structure and properties of some indazole derivatives using the AM1, PM3 and MNDO semiempirical methods. 2. An aqueous phase study


Ogretir C., TAY N. F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.588, pp.145-153, 2002 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 588
  • Publication Date: 2002
  • Doi Number: 10.1016/s0166-1280(02)00167-7
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.145-153

Abstract

In this work the aqueous phase physicochemical properties of some 3-substituted indazole derivatives were computed by using semiempirical methods and the obtained results were evaluated by searching a possible correlation with the previously obtained experimental properties.