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General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides. (2022)

First Author: Shi BX

Attributed to: Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0087031

PubMed Identifier: 35364886

Publication URI: http://europepmc.org/abstract/MED/35364886

Type: Journal Article/Review

Volume: 156

Parent Publication: The Journal of chemical physics

Issue: 12

ISSN: 0021-9606