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Reverse Watson−Crick Isocytosine−Cytosine and Guanine−Cytosine Base Pairs Stabilized by the Formation of the Minor Tautomers of Bases. An ab Initio Study in the Gas Phase and in a Water Cluster

✍ Scribed by Zhanpeisov, Nurbosyn U.; Šponer, Jiří; Leszczynski, Jerzy


Book ID
126899934
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
72 KB
Volume
102
Category
Article
ISSN
1089-5639

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Ab initio study of the structure of isoc
✍ 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