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study of structure and study of chemical reactions of flucytosine and cytosine
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نویسنده
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azizi soreshjani mahsa ,namazian mansoor ,noorbala mohammad r.
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منبع
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بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران - 1400 - دوره : 23 - بیست و سومین کنفرانس شیمی فیزیک انجمن شیمی ایران - کد همایش: 00210-50174 - صفحه:0 -0
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چکیده
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Intramolecular hydrogen transfer forcytosine is investigated. by migrationof hydrogen atom from nitrogen ofcytosine to oxygen a different isomeris produced. considering the newgeometric position, fully optimizationalong frequency calculations andhigher level of theory have beeninvestigated using quantum chemicalcomputation methods. the solubilityof this compound in different solventsis also investigated. the results of thisstudy are important in biochemistry ofcytosine.
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کلیدواژه
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cytosine; hydrogen transfer; g4mp2; dft
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آدرس
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, iran, , iran, , iran
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Authors
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