Research Data for "3D Visualisation of chemical shielding tensors (VIST) to elucidate local and global (anti)aromaticity"
收藏DataCite Commons2021-01-15 更新2025-04-16 收录
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https://repository.lboro.ac.uk/articles/dataset/Research_Data_for_3D_Visualisation_of_chemical_shielding_tensors_VIST_to_elucidate_local_and_global_anti_aromaticity_/13546826
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资源简介：
Research data underlying the manuscript "3D Visualisation of local aromaticity and antiaromaticity using chemical shielding tensors"<br>ContentMolecular coordinates (<b>coord.xyz</b>), Gaussian input files (<b>gaussian.com</b>), Gaussian output files (<b>gaussian.log</b>), and VMD input scripts (<b>*.vmd</b>) for <b>benzene</b>, <b>phenanthrene</b>, <b>cyclobutaphenanthrene, PCT </b>(paracyclophanetetraene)<b>, 8CPP </b>(cycloparaphenylene)<b>, norcorrole_dimer</b>.<br>
提供机构：
Loughborough University
创建时间：
2021-01-08
