Conformational analysis of poly(ethylene
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Shridhar P. Gejji; JΓΆrgen Tegenfeldt; Jan Lindgren
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Article
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1994
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Elsevier Science
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English
β 442 KB
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