Poster Presentations
- Day 3, May 13（Wed.） Poster (1008/09)
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3P-04 PDF
DFT calculation of weak interaction among crystalline sponge and samples in CS-LDI-MS in the case of piperonyl methylketone
Laser desorption ionization mass spectrometry (LDI-MS) was applied to the molecules encapsulated in the crystal sponge (CS). The CS method has made it possible to investigate the presence of target molecules within the CS framework by single crystal X-ray analysis. In this study, DFT calculations were applied to piperonyl methylketone to investigate weak interactions among samples and the CS framework.