Research data supporting "Many-Body Dispersion Correction Effects on Bulk and Surface Properties of Rutile and Anatase TiO2"
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https://www.repository.cam.ac.uk/handle/1810/257496
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资源简介：
Original VASP output files ("OUTCAR") for optimised bulk and surface models of rutile and anatase titanium dioxide (TiO2). The levels of theory used, "PBE", "TS", and "MBD", respectively, are explained and referenced in detail in the associated publication.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2016-08-31
