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
id ftungoettingendv:doi:10.25625/VMY3WD
record_format openpolar
spelling ftungoettingendv:doi:10.25625/VMY3WD 2023-11-05T03:44:31+01:00 Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions Dohmen, Maria Magdalena Obenchain, Daniel Adam Dohmen, Maria Magdalena https://doi.org/10.25625/VMY3WD unknown GRO.data https://doi.org/10.25625/VMY3WD Chemistry raw data ftungoettingendv https://doi.org/10.25625/VMY3WD 2023-10-10T12:09:12Z 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. Other/Unknown Material Orca Göttingen Research Online Data
institution Open Polar
collection Göttingen Research Online Data
op_collection_id ftungoettingendv
language unknown
topic Chemistry
raw data
spellingShingle Chemistry
raw data
Dohmen, Maria Magdalena
Obenchain, Daniel Adam
Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
topic_facet Chemistry
raw data
description 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.
author2 Dohmen, Maria Magdalena
author Dohmen, Maria Magdalena
Obenchain, Daniel Adam
author_facet Dohmen, Maria Magdalena
Obenchain, Daniel Adam
author_sort Dohmen, Maria Magdalena
title Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
title_short Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
title_full Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
title_fullStr Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
title_full_unstemmed Supplemental for Benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
title_sort supplemental for benchmarking the quadrupolar coupling tensor for chlorine to probe weak-bonding interactions
publisher GRO.data
url https://doi.org/10.25625/VMY3WD
genre Orca
genre_facet Orca
op_relation https://doi.org/10.25625/VMY3WD
op_doi https://doi.org/10.25625/VMY3WD
_version_ 1781704587741233152

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