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Conformational analysis of ethylene oxide and ethylene imine oligomers by quantum chemical calculations: solvent effects

✍ Scribed by Minoru Kobayashi; Hisaya Sato

Publisher: Springer
Year: 2008
Tongue: English
Weight: 334 KB
Volume: 61
Category: Article
ISSN: 0170-0839
DOI: 10.1007/s00289-008-0969-8

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The protonation of acetylene and ethylene (yielding the vinyl aqueous basicities afforded the hydration energies of the protonated bases. It was found that the aqueous protonation of and ethyl cation, respectively) was investigated computationally by ab initio calculations [B3LYP/6-31G(d,p)], in the