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Hydrogen bonding in the urea dimers and adenine–thymine DNA base pair: anharmonic effects in the intermolecular H-bond and intramolecular H-stretching vibrations

✍ Scribed by Attila Bende


Book ID
105886411
Publisher
Springer
Year
2009
Tongue
English
Weight
482 KB
Volume
125
Category
Article
ISSN
1432-2234

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The results of systematic ab initio calculations of 15 N and 1 H chemical shielding tensors in the GC base pair as a function of hydrogen bond length are presented for the first time. The hydrogen bond length characterized by the distance r N. . .N between purine N1 and pyrimidine N3 was varied betw