Published August 24, 2021 | Version v1
Dataset Open

Dataset for "Binding energies of molecular solids from fragment and periodic approaches"

  • 1. Charles University
  • 2. Queen's University Belfast

Description

Dataset containing many-body contributions to binding energies of molecular crystals as described in the article

"Binding energies of molecular solids from fragment and periodic approaches"

published in Electronic Structure, doi: 10.1088/2516-1075/ac25d6

 

Files

Ammonia.ipynb

Files (632.1 MB)

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Additional details

Related works

Is cited by
Journal article: 10.1088/2516-1075/ac25d6 (DOI)

Funding

European Commission
APES - Accuracy and precision for molecular solids 759721