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Dihydroxypyrimidine arasında tautomerlik (Seri B) üzerine bir çalışma

A study on tautomerism of dihydroxypyrimidine (Series B)

Journal Name:

  • Çankaya University Journal of Arts and Sciences

Publication Year:

  • 2005

Key Words:

Keywords (Original Language):

Author NameUniversity of AuthorFaculty of Author
Abstract (2. Language): 
Tautomerism of 4,6-dihydroxypyrimidine, 4-methoxy-pyrimidine-6-one, the monoanion of 4,6- dihydroxypyrimidine, 2,5-dihydroxypyrimidine, and 4,5-dihydroxypyrimidine have been examined in aqueous solution by means of semi-empirical AM1, PM3, PM5 and high level B3LYP/6-31G(d) and B3LYP/6-311++G(d,p) methods. The results obtained from the calculations are consistent with the available experimental data.
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Abstract (Original Language): 
4,6-dihidroksipirimidin, 4-metoksi-6-pirimidin-6-on, 4,6-dihidroksipirimidinin monoanyonu, 2,5- dihidroksipirimidin ve 4,5-dihidroksipirimidine ait tatomerik dengeler yar›-ampirik AM1, PM3, PM5 ve yüksek seviyede B3LYP/6-31G(d) ve B3LYP/6-311++G(d,p) yöntemleri kullanarak incelenmifltir. Hesaplamalardan elde edilen sonuçlar mevcut deneysel veriler ile oldukça iyi uyum göstermifltir.
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  • 1
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  • Turkish

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A Study on Tautomerism of Dihydroxypyrimidines.

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