A Combined Application of Reaction Prediction and Infrared Spectra Simulation for the Identification of Degradation Products of s-Triazine Herbicides

Combined use of complete lineshape analy

Combined use of complete lineshape analysis of 1D spectra subjected to reference deconvolution and linear prediction, 2D-EXSY spectra and a double fitting method for the study of chemical exchange. Application to an eight-site exchange system

✍ Pavletta S. Denkova; Valentin S. Dimitrov 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB 👁 2 views

Obtaining unknown NMR parameters from experimental spectra of exchanging systems is, from a mathematical point of view, associated with the solution of an inverse problem. Inverse problems are usually solved by iterative procedures and calculations may not always converge and the solutions are rarel