Computer-Assisted Chemical Analysis

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This research is in the general area of analytical and surface chemistry and in the subfield of computer based research. This research involves a number of inter-related research areas which combine separation and spectroscopic detection to produce synergistic methods for the analysis of complex organic mixtures. The overall goal of this research is to develop novel guidelines and algorithms for integrated mixture analysis using software/hardware systems more capable than those that are currently in use. This research encompasses many areas of chemical analysis including chromatography, infrared spectrometry, nuclear magnetic resonance and mass spectrometry. The use of these techniques in combination should provide unique capabilities for analytical measurement of samples with unknown compositions.