Research Data for "3D Visualisation of chemical shielding tensors (VIST) to elucidate local and global (anti)aromaticity"
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https://figshare.com/articles/dataset/Research_Data_for_3D_Visualisation_of_chemical_shielding_tensors_VIST_to_elucidate_local_and_global_anti_aromaticity_/13546826
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Research data underlying the manuscript "3D Visualisation of local aromaticity and antiaromaticity using chemical shielding tensors"ContentMolecular coordinates (coord.xyz), Gaussian input files (gaussian.com), Gaussian output files (gaussian.log), and VMD input scripts (*.vmd) for benzene, phenanthrene, cyclobutaphenanthrene, PCT (paracyclophanetetraene), 8CPP (cycloparaphenylene), norcorrole_dimer.
创建时间：
2021-01-15
