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Graphene Oxide Nanoflake Archetypes and Prototypes

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About this Collection

Graphene Oxide Nanoflake Archetypes and Prototypes


The collection contains the atomic coordinates of the best matching graphene oxide nanoflakes to the 25 archetypes identified using archetypal analysis, and 3 prototypes identified using iterative label spreading clustering analysis, each using an ensemble data set of 20386 unique samples defined by 830 topological features, generated by relaxing e... more


Artificial Intelligence and Image Processing not elsewhere classified Cheminformatics and Quantitative Structure-Activity Relationships Condensed Matter Modelling and Density Functional Theory Nanomaterials Nanotechnology not elsewhere classified Pattern Recognition and Data Mining Theoretical and Computational Chemistry not elsewhere classified


https://doi.org/10.25919/5d1304152364a


01 Jan 2019


31 Dec 2999


CSIRO Enquiries
CSIROEnquiries@csiro.au
1300 363 400

graphene oxide structure prototype archetype coordinates nanomaterials


Lin Lai, Baichuan Sun, Benyamin Motevalli, Amanda S. Barnard


CSIRO Data Licence


CSIRO (Australia)


Barnard, Amanda; Motevalli Soumehsaraei, Benyamin (2019): Graphene Oxide Nanoflake Archetypes and Prototypes. v1. CSIRO. Data Collection. https://doi.org/10.25919/5d1304152364a


All Rights (including copyright) CSIRO 2019.


The metadata and files (if any) are available to the public.

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About this Project

Decision Sciences - Program Management


Data set to accompany the publication of journal article "Does Twinning Impact Structure/Property Relationships in Diamond Nanoparticles?"


Amanda Barnard


Nanostructure Data Bank


A repository for sets of initial configurations (structure sets) and fully relaxed and reconstructed nanostructures (data sets), with properties calculated with electronic structure methods.


Calculation


High Performance Supercomputer


Amanda Barnard


Benyamin Motevalli Soumehsaraei


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