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 (SCI-Expanded) identifier identifier


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.