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.

Bibliographic Details
Main Authors: Dohmen, Maria Magdalena, Obenchain, Daniel Adam
Language:unknown
Published: GRO.data
Subjects:
Chemistry
raw data
Orca
Online Access:https://doi.org/10.25625/VMY3WD
Description
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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