Browsing Theses by Subject "differential mobility spectrometry"
Now showing items 1-3 of 3
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Determining Molecular Physicochemical Properties Using Differential Mobility Spectrometry
(University of Waterloo, 2019-09-26)This thesis aims to explore the usage of differential mobility spectrometry (DMS) and quantum chemical calculations to separate and identify drug compounds, as well as the use of machine learning (ML) to predict physicochemical ... -
Exploring the Structures and Properties of Cationic Aromatic Clusters
(University of Waterloo, 2020-12-02)In this thesis, the structures and properties of protonated aromatic clusters have been investigated. The aromaticity of the phenyl ring can be influenced by the substituents. Electron withdrawing groups (EWGs) can reduce ... -
Spectroscopic interrogation of differential mobility spectrometry selected, isolated, gas-phase molecular clusters
(University of Waterloo, 2020-09-25)One of the most elusive challenges facing mass spectrometry-based methods is the study of isomers. Oftentimes, isomers produce identical fragmentation spectra that make structural elucidation and assignment from MS data ...