Polymerization of diketene

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Computational study of the acid dissociation of esters and lactones. A case study of diketene.

A computational study of the aqueous pK(a) of some saturated and unsaturated cyclic and linear esters and ketones was carried out at the DFT-B3LYP 6-31++G(2df,2pd), CBS-Q, and G2 levels, with the integral equation formalism polarizable continuum model for solvation, using a proton exchange mechanism. The influence of unsaturation, position of the double bond, and cyclization were studied. The c...

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ژورنال

عنوان ژورنال: Die Makromolekulare Chemie

سال: 1960

ISSN: 0025-116X,0025-116X

DOI: 10.1002/macp.1960.020390119