![]() Formation mechanism of the deuterated bicyclic oxygenated compounds Wen et al., Direct observation of the particle-phase bicyclic products from OH-initiated oxidation of 1,3,5-trimethylbenzene under NOx-free conditions, Atmospheric Environment. The data are also available via ProteomeXchange with the dataset identifier PXD030839. Institution: Anhui Institute of Optics and Fine Mechanics, CASĬity/Town/Region: Hefei, Jinggang, 230031ĭata are available with this article. The GaussView as the graphical interface for Gaussian 16 was used to open the output files. The geometric structures were optimized by using Gaussian 16 program. The molecular structures were drawed manually by using Chemdraw ultra 12.0. The mass spectra of the particle-phase products from OH oxidation reaction of 1,3,5-TMB were measured by using the VUV photoionization aerosol mass spectrometer. Structures and reaction routes: ChemBioDraw Ultra 12.0, Gaussian 16 and GaussView 6. Mass spectra: Vacuum ultraviolet (VUV) photoionization aerosol mass spectrometer.
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