When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations

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Title
When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 4, Pages 1785-1793
Publisher
American Chemical Society (ACS)
Online
2017-02-24
DOI
10.1021/acs.jctc.7b00085

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