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Updated: Oct 13, 2026

Determination of the Gas-phase Acidities of Oligopeptides
Published on: June 24, 2013
Quantitative relationship between rate constants of the gas-phase homolysis of C-X bonds and molecular descriptors
Abstract:
A quantitative structure-property relationship (QSPR) study on the kinetic parameters of the gas-phase homolysis for 287 different C-X bonds was carried out using the CODESSA program. Successful five-, four-, and three-parameter models were developed for the prediction of the log k (891 K) values. These respective multiple linear correlations were obtained by automatic selection of appropriate molecular descriptors for reagents and products, using only the information encoded in the chemical structure.
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