Dergiler / Cumhuriyet Üniversitesi Fen-Edebiyat Fakültesi Fen Bilimleri Dergisi / 1999 / Cilt: 21 - Sayı: 1

Ab initio study of the protometric tautomerism of adenine

Sayfa
117–124
Yayın Tarihi
2022-10-11
DOI
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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

The effect of solute-solvent interaction was taken into account by SCRF method.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:Eight tautomers of adenine have been studied by using ab initio theory in the gas phase and in solution.
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Temel Bulgular & Veri:Their stability order has been determined by using the HF/3-21G approximation.
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Sonuç & Katkı:The effect of solute-solvent interaction was taken into account by SCRF method.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Alan Parametreleri

Abstract

Eight tautomers of adenine have been studied by using ab initio theory in the gas phase and in solution. Their stability order has been determined by using the HF/3-21G approximation. The HF/3-21G level calculations predict that adenine presents predominantly as Al in the gas phase and in solution. The effect of solute-solvent interaction was taken into account by SCRF method.

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Bu Makaleye Atıf Yap

YEKELER, H., KARAKUŞ, N. (2022). Ab initio study of the protometric tautomerism of adenine. Cumhuriyet Üniversitesi Fen-Edebiyat Fakültesi Fen Bilimleri Dergisi, Cilt: 21 - Sayı: 1, 117–124. https://ajindex.com/articles/480445

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