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Specific solvation effects on the structures and properties of Watson–Crick and reverse Watson–Crick isocytosine–cytosine and guanine–cytosine base pairs: a theoretical ab initio study

✍ Scribed by N.U Zhanpeisov; J Leszczynski

Book ID
114143698
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
414 KB
Volume
487
Category
Article
ISSN
0166-1280

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Ab initio study of the structure of isocytosine–cytosine standard Watson–Crick base pairs in the gas phase and in water
✍ N. U. Zhanpeisov; J. Leszczynski 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 587 KB

Ab initio quantum chemical studies at the HF and MP2 levels with the 6-31G U basis set were performed for H-bonded isocytosine᎐cytosine standard Ž . Watson᎐Crick base pairs denoted as iCC1 in the gas phase and in a water solution. Full geometry optimizations at the HF level without any constraints o