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Supplementary_Information_xyz_DFT

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posted on 2025-04-09, 09:33 authored by Santiago AparicioSantiago Aparicio

xyz optimized coordinates (DFT wB97x/def2-TZVP) for 98 Graphene Nanoflakes.

Funding

European Union H2020 Program (H2020-NMBP-TO-IND-2020-twostage-DIAGONAL-GA- 953152)

Junta de Castilla y León (Spain, project NANOCOMP - BU058P20)

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    graphene dft )- based

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    CC BY 4.0

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