Data for "Thermal Desorption Kinetics, Binding Energies, and Entrapment of Methyl Mercaptan Ices"
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This data includes infrared and mass spectra for thermal desorption experiments of methyl mercaptan and methanol ices. There are also Gaussian 16 log files that were used for complementary analysis of the data (i.e. single/dimer molecule optimization+frequency and harmonic/anharmonic band strength calculations) using the M062X/cc-pVDZ or M062X/cc-pVQZ or B3LYP/cc-pVDZ levels of theory.
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Zenodo创建时间：
2024-10-22
