Atıf İçin Kopyala
Ogretir C., Yarligan S., Berber H., Arslan T., Topal S.
JOURNAL OF MOLECULAR MODELING, cilt.9, sa.6, ss.390-394, 2003 (SCI-Expanded)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
9
Sayı:
6
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Basım Tarihi:
2003
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Doi Numarası:
10.1007/s00894-003-0150-0
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Dergi Adı:
JOURNAL OF MOLECULAR MODELING
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Derginin Tarandığı İndeksler:
Science Citation Index Expanded (SCI-EXPANDED), Scopus
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Sayfa Sayıları:
ss.390-394
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Anahtar Kelimeler:
substituted benzimidazoles, aqueous phase, semi-empirical calculations, annular tautomerism, chain tautomerism
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Anadolu Üniversitesi Adresli:
Hayır
Özet
The geometries, relative stabilities of some 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives were calculated with full geometry optimization using AM1 and PM3 in aqueous phase. With the exception of molecules 4, 6 and 7 for all the 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives the 3H and keto forms were found to be favored.