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Laboratory
for ChemoMetrics,
Vienna (Austria) Research / Overview |
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Chemometrics for
comet research Development of data interpretation methods for the COSIMA instrument (COmetary Secondary Ion Mass Analyzer) that will be sent
to a comet by the ESA mission ROSETTA. Simulation of a TOF mass
spectrometer. PDMS/SIMS. |
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Computer-assisted structure elucidation of organic
compounds Interpretation and classification of mass spectra and infrared
spectra by multivariate data analysis methods. Application of isomer
generation. Spectral databases. MS - Chemometrics - Chemical Structures (manuscript, PDF,
48 kbyte). |
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Computer chemistry Topological similarity of chemical structures. Cluster analysis of
chemical structures. Substructure search. Substructure isomorphism matrix,
see Software SubMat. |
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Characterization and classification of materials / archaeometry Application of chemometric methods to
samples of different origin; food samples: beer, salad..
Archaeological samples: Tyrolean
Iceman (Ötzi), his tools and weapons; tissue
samples. |
Project
Summaries at the Institute Homepage
Method
and Software Development in Chemometrics and Chemoinformatics
Chemometrics and TOF-SIMS in Comet Research
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[ Info | People | Research | Papers | Posters
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2011-12-19 |
