Applications of Numerical Methods in Molecular Spectroscopy provides a mathematical background, theoretical perspective, and review of spectral data processing methods. The book discusses methods of complex spectral profile separation into bands, factor analysis methods, methods of quantitative analysis in molecular spectroscopy and reflectance spectroscopy, and new data processing methods. Mathematical methods in special areas of molecular spectroscopy, such as color science, electron spin resonance, and nuclear magnetic resonance spectroscopies are also covered. The book will benefit researchers and postgraduate students in fields of chemistry, physics, and biology.
Acquisition and Processing of Spectral Data.
Resolution of Spectra.
Methods of Factor Analysis in Molecular Spectroscopy.
Quantitative Analysis in Molecular Spectroscopy.
Methods of Numerical Analysis of Electron Spin Resonance Spectra.
Numerical Methods in NMR Spectroscopy.
Foundations of Matrix Calculations.
Systems of Linear Equations.
The Fourier Transformation.
References to Appendices.