Titlebook: Computer-Enhanced Analytical Spectroscopy; Henk L. C. Meuzelaar,Thomas L. Isenhour Book 1987 Plenum Press, New York 1987 NIR.nuclear magne

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Curve Fitting and Fourier Self-Deconvolution for the Quantitative Representation of Complex Spectraare based on minimizing the standard deviation between the measured spectrum and a synthetic spectrum. The latter spectrum may be synthesized from a linear combination of spectra of mixtures of known composition, as it is in whole spectrum curve-fitting techniques. or the .-matrix method,. or it may

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Numerical Extraction of Components from Mixture Spectra by Multivariate Data Analysishis chapter can be difficult to understand for nonmathematicians. Therefore we will explain techniques such as factor and discriminant analysis, as well as subsequent procedures aimed at extracting chemical information, primarily in geometrical terms. After the basic principles have been visualized,

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Novel Advances in Pattern Recognition and Knowledge-Based Methods in Infrared Spectroscopys of the atoms and the strengths of the bonds are known. This assumption is realistic for very small or highly symmetrical larger molecules. For those types of molecules, excellent theoretical treatments have been made. However, the vast majority of molecules have vibrational characteristics and int

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