Atıf İçin Kopyala
Ogretir C., Berber H.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.577, sa.2-3, ss.197-204, 2002 (SCI-Expanded)
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Yayın Türü:
Makale / Tam Makale
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Cilt numarası:
577
Sayı:
2-3
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Basım Tarihi:
2002
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Doi Numarası:
10.1016/s0166-1280(01)00666-2
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Dergi Adı:
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
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Derginin Tarandığı İndeksler:
Science Citation Index Expanded (SCI-EXPANDED), Scopus
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Sayfa Sayıları:
ss.197-204
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Anahtar Kelimeler:
imidazole, 1,2,4-triaryl imidazole, quantum chemical studies, aqueous phase
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Anadolu Üniversitesi Adresli:
Hayır
Özet
The geometries, proton affinities and thermodynamic properties of some 1,2,4-triarylsubstituted imidazole derivatives were calculated with full geometry optimization using AM1 and PM3 methods in aqueous phase. A possible correlation between experimentally obtained results and the computed data was searched. (C) 2002 Elsevier Science B.V. All rights reserved.