Published July 1, 2024
| Version v1
Dataset
Open
Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations
Creators
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1.
Universitat Autònoma de Barcelona
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2.
Université Grenoble Alpes
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3.
University of Turin
Description
This dataset contains the atomic coordinates in XYZ format for the HF-3c optimized structures of N-bearing species adsorbed on the surfaces of both a periodic model of proton-ordered crystalline water ice and a periodic amorphous water ice model, obtained using the CRYSTAL17 computer code.
Files
BEs_Nitrogen.zip
Files
(701.3 kB)
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md5:10577e4dc9d2d838304f6c59f161f5bc
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Additional details
Related works
- Is published in
- Publication: 10.3847/1538-4357/ad47b6 (DOI)