A density functional theory study of interaction between formamide and guanine
β Scribed by An-guo Zhang; Mei Qin; Zheng-yu Zhou; Zhao-kun Jia; Rui-yan Hou
- Book ID
- 110184152
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2008
- Tongue
- English
- Weight
- 701 KB
- Volume
- 82
- Category
- Article
- ISSN
- 0036-0244
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The hydrogen bonding of 1:1 complexes formed between formamide and methanol has been investigated using DFT and MP2 methods at varied basis set levels from 6-31g to 6-31++g(2d, 2p). Five reasonable geometries are considered with the global minimum being a cyclic double-hydrogen bonded structure. The