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Research Data for "3D Visualisation of chemical shielding tensors (VIST) to elucidate local and global (anti)aromaticity"
Research data underlying the manuscript "3D Visualisation of local aromaticity and antiaromaticity using chemical shielding tensors"
Content
Molecular 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.Funding
EPSRC: EP/V048686/1
History
School
- Science
Department
- Chemistry
