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Molecular Structure and Dynamics

The Molecular Structure and Dynamics group combines and integrates mass spectrometry with IR spectroscopy, enabling them to obtain infrared spectral fingerprints for mass-selected ions inside the mass spectrometer. They apply infrared ion spectroscopy in various analytical challenges of identifying molecular structures of low-abundance compounds within complex mixtures, e.g. in biomarker discovery.

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Structure Elucidation for MALDI Mass Spectrometry Imaging Using Infrared Ion Spectroscopy

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A Machine-Learned “Chemical Intuition” to Overcome Spectroscopic Data Scarcity

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Experimental Determination of the Unusual CH Stretch Frequency of Protonated Fullerenes

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