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

Atıf İçin Kopyala

Ogretir C., TAY N. F.

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

Yayın Türü: Makale / Tam Makale
Cilt numarası: 588
Basım Tarihi: 2002
Doi Numarası: 10.1016/s0166-1280(02)00167-7
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.145-153
Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

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.