ICAR Research Data Repository for Knowledge Management
Silver Nanoparticle Data Set
CSIRO RDS Repository
View Archive Info| Field | Value | |
| Title |
Silver Nanoparticle Data Set
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| Creator |
Amanda Barnard
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| Subject |
Theoretical and Computational Chemistry not elsewhere classified
Theory and Design of Materials Nanomaterials Nanotechnology not elsewhere classified Artificial Intelligence and Image Processing not elsewhere classified Condensed Matter Modelling and Density Functional Theory Pattern Recognition and Data Mining Condensed Matter Physics not elsewhere classified |
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| Description |
This is a set of silver nanoparticle FINAL CONFIGURATIONS, for use in data driven studies. These structures have been optimized (fully relaxed) using Density Functional Tight Binding. Sizes range from 13 atoms to 2947 atoms, with a variety of shapes as described in the accompanying metadata file. All files are in XYZ format, and the naming convention is defined in the accompanying spreadsheet that lists all of the structural, statistical and energetic properties, as well as in the meta data file. This spreadsheet and meta data file is available in the Supporting Attachments. |
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| Publisher |
CSIRO
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| Contributor |
Baichuan Sun
Benyamin Motevalli Soumehsaraei George Opletal |
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| Date |
2019-07-08
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| Type |
—
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| Format |
—
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| Identifier |
csiro:23472
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| Language |
—
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| Coverage |
—
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| Rights |
—
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