The supermolecule method, as applied to studies of liquid-phase reaction mechanisms taking cyclocarbonate aminolysis in dioxane as an example: specific features

The supermolecule method was used to describe the mechanism of liquid-phase processes taking the reaction of ethylene carbonate with methylamine as an example. Specific features of the approach are considered. The problem of choosing the reference point for calculating the relative energies of indiv...

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Veröffentlicht in:Russian chemical bulletin 2016-03, Vol.65 (3), p.631-639
Hauptverfasser: Zabalov, M. V., Tiger, R. P.
Format: Artikel
Sprache:eng
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