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, NAİME

doi:10.1016/s0166-1280(02)00167-7

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, Scopus)

Publication Type: Article / Article
Volume: 588
Publication Date: 2002
Doi Number: 10.1016/s0166-1280(02)00167-7
Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.145-153
Eskisehir Osmangazi University Affiliated: Yes

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.