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Modeling CID fragmentation of NaClRb+ cluster
The details of this example can be found in the following article: L. Wua, J. W. Denault, R.G. Cooks, L. Drahos and K. Vékey, J. Am. Soc. Mass Spectrom, 13, 1386-1393 (2002)
Calculated (B3-LYP/SDD basis set) vibrational frequencies (cm-1) of [Na-Cl-Rb]+: 56.6447, 56.6456, 133.5272, 324.7957.
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Fig. 3a:MassKinetic calculated survival yield vs. collision efficiency curve of [Na-Cl-Rb]+ under single collision conditions.
Fig. 3b: MassKinetic calculated effective temperature Teff vs. collision efficiency curve of [Na-Cl-Rb]+ under single collision conditions.
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Fig. 4a: MassKinetic calculated survival yield vs. collision gas pressure (Pa) graph.
Fig. 3b: MassKinetic calculated effective temperature Teff vs. collision gas pressure graph.
