bondang ZnO nanoparticles cluster calculations: Geometry optimization calculations

dc.creator	Najdhefer, Isidora
dc.creator	Kapidžić, Ana
dc.date.accessioned	2024-07-19T12:55:47Z
dc.date.available	2024-07-19T12:55:47Z
dc.date.issued	2023
dc.identifier.uri	https://vinar.vin.bg.ac.rs/handle/123456789/13520
dc.description.abstract	These are the results obtained using the free software CPMD (Car-Parrinello molecular dynamics) version 4.3.0 available on the internet [https://github.com/CPMD-code]. The output data from the mathematical modeling of ZnO nanoparticles for this dataset include: distances/distortions, bond angles, volume, lattice constant, real space mesh, all in the appropriate units. The results are presented in the paper.	en
dc.language.iso	en
dc.publisher	VinaR - Repository of the Vinča Institute of Nuclear Sciences
dc.relation	info:eu-repo/grantAgreement/MESTD/inst-2020/200017/RS//
dc.rights	openAccess
dc.rights.uri	https://creativecommons.org/licenses/by/4.0/
dc.source	VinaR
dc.subject	ceramics	en
dc.subject	density functional theory	en
dc.subject	point defects	en
dc.subject	nanoparticles	en
dc.subject	electronic structure calculations	en
dc.title	bondang ZnO nanoparticles cluster calculations: Geometry optimization calculations	en
dc.type	dataset
dc.rights.license	BY
dc.type.version	publishedVersion
dc.identifier.rcub	https://hdl.handle.net/21.15107/rcub_vinar_13520