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Journals / Anadolu Üniversitesi Fen Fakültesi Dergisi / 2001 / Cilt: 0 - Sayı: 6

Semiemprical gas phase study of tautomerizm of cytosine, uracil and their tautomeric forms

Sitozin, urasil ve olası tautomerik formlarının gaz fazı semiampirik çalışmaları

Halil BERBER
Pages
125–137
Publication Date
2022-10-11
DOI
—
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The results predicted were more stable forms.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:The geometry, relative stabilities, heat of formations, ionization potentials, dipole moments and entropy properties of cytosine, uracil and their tautomeric forms were calculated with full geometry optimization using AMI, PM3 and MNDO semiempirical methods in gas phase.
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Key Findings & Data:The geometry, relative stabilities, heat of formations, ionization potentials, dipole moments and entropy properties of cytosine, uracil and their tautomeric forms were calculated with full geometry optimization using AMI, PM3 and MNDO semiempirical methods in gas phase.
💡
Conclusion & Impact:The results predicted were more stable forms.
🔬Design:Modeling & Simulation
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

The geometry, relative stabilities, heat of formations, ionization potentials, dipole moments and entropy properties of cytosine, uracil and their tautomeric forms were calculated with full geometry optimization using AMI, PM3 and MNDO semiempirical methods in gas phase. The results predicted were more stable forms.

Özet

Bu çalışmada sitozin, urasil ve bu moleküllerin olası tautomerik yapıların geometrileri, relatif stabiliteleri, oluşum entalpileri, iyonlaşma potansiyelleri, dipol momentleri ve entropi değerleri semiampirik moleküler orbital yönteminde AMI, PM3 ve MNDO metotları ile gaz fazında hesaplandı. Elde edilen sonuçlardan daha kararlı formlar belirlendi.

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Cite This Article

BERBER, H. (2022). Semiemprical gas phase study of tautomerizm of cytosine, uracil and their tautomeric forms. Anadolu Üniversitesi Fen Fakültesi Dergisi, Cilt: 0 - Sayı: 6, 125–137. https://ajindex.com/articles/438644

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