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Experimental and theoretical study on the 1:1 supramolecular complexes of formamide with adrenaline

✍ Scribed by Tao Liu; Zhangyu Yu; Lingli Han; Xueliang Wang; Chengbu Liu

Book ID
116508700
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
760 KB
Volume
496
Category
Article
ISSN
0378-1119

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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