๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Multistep reaction analysis. A numerical approach based on relaxation theory

โœ Scribed by Radu Bacaloglu; Clifford A. Bunton; Francisco Ortega

Book ID
102930010
Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
913 KB
Volume
20
Category
Article
ISSN
0538-8066

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โœฆ Synopsis

A general numerical method and program for simulation of the kinetics of multistep reactions is described, with details for collation of data, construction of a mechanistic model, and simulation of reciprocal relaxation times and calculation of individual rate constants. The working scheme of the program includes an initial approximate simulation by adjustment of the rate constants followed by their optimization with a Powell minimization subroutine. The procedure is applied to aromatic nucleophilic addition.

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