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

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Ogretir C., TAY N. F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.588, pp.145-153, 2002 (SCI-Expanded)

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.