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The effect of intramolecular hydrogen bond on theN-glycosidic bond strength in 3-methyl-2′-deoxyadenosine: a quantum chemical study

✍ Scribed by Delarami, H. S.; Ebrahimi, A.; Bazzi, S.; Habibi Khorassani, S. M.


Book ID
127151689
Publisher
Springer
Year
2014
Tongue
English
Weight
823 KB
Volume
26
Category
Article
ISSN
1040-0400

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The intramolecular hydrogen bonding in 3-amino 2-iminomethyl acryl aldehyde (AIA) has been studied by ab initio and DFT calculations. All possible conformers of the two tautomeric structures of the respective compound were fully optimized at HF, MP2 and B3LYP levels with 6-311++G ⁄⁄ basis set. From