کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5390949 1505172 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The electron bonded cytosine-guanine complex
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
The electron bonded cytosine-guanine complex
چکیده انگلیسی
In this work, we have performed quantum chemical calculations on a new form of the guanine-cytosine anion, in which the excess electron is suspended between the two systems. The vertical detachment energy calculations performed with the MP2 method yield a value of 0.40 eV, showing a stability relative to the addition of this excess electron. The effects of removing the excess electron are also presented, whereby a significant change in the structure occurs. In these geometry optimizations of the neutral structure initiated with geometry of the anion, we obtain a hydrogen-bonded dimer with energy lower than the anion.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 420, Issues 1–3, 10 March 2006, Pages 221-224
نویسندگان
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