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Ab initio study of the structure of guanine-cytosine base pair conformers in gas phase and polar solvents

✍ Scribed by Florián, Jan; Leszczyński, Jerzy; Scheiner, Steve


Book ID
111647327
Publisher
Taylor and Francis Group
Year
1995
Tongue
English
Weight
656 KB
Volume
84
Category
Article
ISSN
0026-8976

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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