Now Published    Volume 3 Sample Characterization and Spectral Data Processing SPECTRA-STRUCTURE CORRELATIONS Spectra-Structure Correlations in the Mid And Far Infrared Spectra-Structure Correlations in the Near-Infrared Spectra-Structure Correlations in Raman Spectroscopy Infrared and Raman Spectra of Inorganic and Coordination Compounds Spectra–structure Correlations: Polymer Spectra Hydrogen Bonding Utility of Isotopic Data Automated Spectral Searching in Infrared, Raman and Near-Infrared Spectroscopy Expert Systems GROUP THEORETICAL AND NUMERICAL APPROACHES TO THE CALCULATION OF VIBRATIONAL SPECTRA Group Theory and Effects of Symmetry Lowering on Vibrational Spectra Normal Coordinate Analysis Calculation of Vibrational Frequencies by Hartree–Fock-based and Density Functional Theory Calculation of Vibrational Frequencies by Molecular Mechanics Vibrational Intensities: Interpretation and Use for Diagnostic Purposes DISCRIMINANT ANALYSIS Chemometrics – an Introduction Discriminant Analysis Discriminant Analysis by Neural Networks Classification Methods TWO-DIMENSIONAL (2D) ANALYSIS General Theory of Two-dimensional (2D) Analysis Two-dimensional Correlation Spectroscopy in Vibrational Spectroscopy SPECTRAL ENHANCEMENT AND BAND RESOLUTION TECHNIQUES Smoothing and Derivatives in Spectroscopy Resolution Enhancement Approaches Curve-fitting: Modeling Spectra QUANTITATIVE ANALYSIS Beer’s Law Classical Methods of Quantitative Analysis Quantitative Spectroscopic Calibration Inverse Least Squares and Classical Least Squares Methods for Quantitative Vibrational Spectroscopy Principal Component Regression and Partial Least Squares Regression Wavelength Selection by Genetic Algorithms Data Transfer ANOMALIES, ARTIFACTS AND COMMON ERRORS IN USING VIBRATIONAL SPECTROSCOPY TECHNIQUES Mid-infared Spectroscopy: Anomalies, Artifacts and Common Errors Anomalies in Near-infrared Spectroscopy Anomalies and Artifacts in Raman Spectroscopy GLOSSARY Glossary of Terms used in Chemometrics