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Part 1: Document Description
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Citation |
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Title: |
Crystalline ammonia (space group: P2(1)3) clusters |
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Identification Number: |
doi:10.18710/UOTXTK |
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Distributor: |
DataverseNO |
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Date of Distribution: |
2022-04-22 |
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Version: |
1 |
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Bibliographic Citation: |
Hutcheson, Anders; Høyvik, Ida-Marie, 2022, "Crystalline ammonia (space group: P2(1)3) clusters", https://doi.org/10.18710/UOTXTK, DataverseNO, V1 |
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Citation |
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Title: |
Crystalline ammonia (space group: P2(1)3) clusters |
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Identification Number: |
doi:10.18710/UOTXTK |
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Authoring Entity: |
Hutcheson, Anders (NTNU – Norwegian University of Science and Technology) |
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Høyvik, Ida-Marie (NTNU – Norwegian University of Science and Technology) |
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Other identifications and acknowledgements: |
Hutcheson, Anders |
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Other identifications and acknowledgements: |
Høvik, Ida-Marie |
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Producer: |
NTNU – Norwegian University of Science and Technology |
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Software used in Production: |
CrystalMaker |
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Grant Number: |
nn9409k |
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Grant Number: |
275506 |
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Distributor: |
DataverseNO |
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Distributor: |
NTNU – Norwegian University of Science and Technology |
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Access Authority: |
Hutcheson, Anders |
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Depositor: |
Hutcheson, Anders |
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Date of Deposit: |
2022-01-04 |
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Holdings Information: |
https://doi.org/10.18710/UOTXTK |
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Study Scope |
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Keywords: |
Chemistry, Ammonia, cluster, moleulcar crystal |
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Abstract: |
This data set contains XYZ-files for crystalline ammonia clusters comprised of 13, 40, 143, 324, 579 and 953 molecules. The clusters were built from crystalline ammonia with space group P2(1)3 (Hewat & Riekel, 1979). |
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Kind of Data: |
Molecular geometry |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
Hutcheson, A., Høyvik, IM. Convergence of the electronic density for a target region in cluster models of a NH3 molecular crystal. J Math Chem 61, 305–321 (2023). https://doi.org/10.1007/s10910-022-01351-w |
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Identification Number: |
10.1007/s10910-022-01351-w |
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Bibliographic Citation: |
Hutcheson, A., Høyvik, IM. Convergence of the electronic density for a target region in cluster models of a NH3 molecular crystal. J Math Chem 61, 305–321 (2023). https://doi.org/10.1007/s10910-022-01351-w |
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Label: |
00_README.txt |
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Notes: |
text/plain |
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Label: |
nh3_cluster_13molecules.xyz |
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Text: |
Ammonia cluster containing 13 molecules |
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Notes: |
text/plain |
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Label: |
nh3_cluster_143molecules.xyz |
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Text: |
Ammonia cluster containing 143 molecules |
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Notes: |
text/plain |
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Label: |
nh3_cluster_324molecules.xyz |
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Text: |
Ammonia cluster containing 324 molecules |
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Notes: |
text/plain |
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Label: |
nh3_cluster_40molecules.xyz |
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Text: |
Ammonia cluster containing 40 molecules |
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Notes: |
text/plain |
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Label: |
nh3_cluster_579molecules.xyz |
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Text: |
Ammonia cluster containing 579 molecules |
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Notes: |
text/plain |
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Label: |
nh3_cluster_953molecules.xyz |
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Text: |
Ammonia cluster containing 953 molecules |
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Notes: |
text/plain |