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Conformational Analysis of Ethylene Oxide and Ethylene Imine Oligomers by Quantum Chemical Calculation

✍ Scribed by Kobayashi, Minoru; Sato, Hisaya


Book ID
111777004
Publisher
Nature Publishing Group
Year
2008
Tongue
English
Weight
234 KB
Volume
40
Category
Article
ISSN
0032-3896

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The changes in energy of the diethylene oxide dimethylether H&(OCH2CH2)20CHJ, oligomer of poly(ethylene oxide), as a function of rotation around C-C and C-O bonds have been analyzed by ab initio calculations. For the highest level calculations, MP2/6-31+ +G#//HF/3-21 G a gauche conformation around a