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Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals

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Investigating the Energetic Ordering of Stable and Metastable TiO2 Polymorphs Using DFT+U and Hybrid Functionals

@article{curnan-2015-inves-energ,
  author =       {Matthew Curnan and John R. Kitchin},
  title =        {Investigating the Energetic Ordering of Stable and Metastable
                  TiO$_2$ Polymorphs Using DFT+U and Hybrid Functionals},
  journal =      {The Journal of Physical Chemistry C},
  volume =	 {119},
  year =         2015,
  doi =          {10.1021/acs.jpcc.5b05338},
  url =          { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
  eprint =       { http://dx.doi.org/10.1021/acs.jpcc.5b05338 },
}

Manuscript: ./manuscript.org ./manuscript.pdf

Supporting information: ./supporting-information.org ./supporting-information.pdf

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