Codes for calculation of collision cross section (CCS)
- modified mobcal codes
Source codes of modified mobcal codes in helium and nitrogen and manual are included in the Mobcal_20180315.zip.
If you have any questions, please contact us (hoodts@korea.ac.kr).
References:
Lee, J. W.; Lee, H. H. L.; Davidson, K. L.; Bush, M. F.; Kim, H. I. "Structural Characterization of Small Molecular Ions by Ion Mobility Mass Spectrometry in Nitrogen Drift Gas: Improving the Accuracy of Trajectory Method Calculations" Analyst, 2018, 143, 1786-1796.
Lee, J. W.; Davidson, K. L.; Bush, M. F.; Kim, H. I. "Collision Cross Sections and Ion Structures: Development of a General Calculation Method via High-quality Ion Mobility Measurements and Theoretical Modeling" Analyst, 2017, 142, 4289-4298.
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