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Matthew Curnan and John R. Kitchin, "Investigating the Energetic Ordering of Stable and Metastable TiO$_2$ Polymorphs Using DFT+U and Hybrid Functionals", The Journal of Physical Chemistry C, 119: (2015)

http://github.com/KitchinHUB/kitchingroup-58 

@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 },
}
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kitchingroup-58-20160209.1546.tar ( 18M packages/kitchingroup-58-20160209.1546.tar ) 
;;; Commentary:

;; Investigating the Energetic Ordering of Stable and Metastable
;;                   TiO$_2$ Polymorphs Using DFT+U and Hybrid Functionals


Contents:
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