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Quantum-chemical study of thermodynamics of ethylene carbonate reactions with methanol

✍ Scribed by Samuilov, A. Ya.; Valeev, A. R.; Balabanova, F. B.; Samuilov, Ya. D.; Konovalov, A. I.

Book ID
121704672
Publisher
Springer
Year
2013
Tongue
English
Weight
158 KB
Volume
83
Category
Article
ISSN
1070-3632

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## Abstract The relative stability of and barrier to interconversion of the two possible intermediates in the electrophilic addition of iodine to ethylene have been studied by means of __ab initio__ molecular calculations with pseudopotential approximations. The geometries of the 2‐iodoethyl and et