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    • Ground state structure of high-energy-density polymeric carbon monoxide 

      Xia, K; Sun, J; Pickard, Christopher James; Klug, DD; Needs, Richard James (American Physical Society, 2017-04-04)
      Crystal structure prediction methods and first-principles calculations have been used to explore low-energy structures of carbon monoxide (CO). Contrary to the standard wisdom, the most stable structure of CO at ambient ...