Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
Output files of all calculations for the publication 'Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions' Contains raw output files, data table and custom basis set for Orca.
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Language: | unknown |
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GRO.data
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Online Access: | https://doi.org/10.25625/VMY3WD |
Summary: | Output files of all calculations for the publication 'Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions' Contains raw output files, data table and custom basis set for Orca. |
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