標題: DETERMINATION OF THE NMR MONOMER SHIFT AND DIMERIZATION CONSTANT IN A SELF-ASSOCIATING SYSTEM BY DIRECT APPLICATION OF THE LEAST-SQUARES METHOD
作者: TAN, HKS
交大名義發表
應用化學系
National Chiao Tung University
Department of Applied Chemistry
公開日期: 7-十二月-1994
摘要: The monomer shift and dimerization constant of a self-associating system have been determined directly by applying the least-squares method to the NMR experimental data. Equations have been obtained in which two analytic methods can be applied. In the first method, a value of the dimerization constant is assumed and by linear regression the error sum of squares (ESS) is calculated. The minimum ESS is located by a five-point searching algorithm. In the second method, non-linear regression analysis of the model equation with the least-squares method results in a single equation of unknown K. A conventional root finding method is then applied from which the values of monomer shift and dimerization constant are determined. The numerical procedures proposed in this paper have been illustrated with an example using previously published experimental NMR data. Results of calculations are discussed.
URI: http://dx.doi.org/10.1039/FT9949003521
http://hdl.handle.net/11536/2183
ISSN: 0956-5000
DOI: 10.1039/FT9949003521
期刊: JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
Volume: 90
Issue: 23
起始頁: 3521
結束頁: 3525
顯示於類別:期刊論文


文件中的檔案:

  1. A1994PV28600007.pdf