Crystallography Open Database

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Searching journal of publication like 'Journal of Chemical Theory and Computation' volume of publication is 2

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9014004 CIFCP 6/m m m4.89; 4.89; 3.88
90; 90; 120		80.349Bucknum, M. J.; Castro, E. A.
The carbon allotrope hexagonite and its potential synthesis from cold compression of carbon nanotubes
Journal of Chemical Theory and Computation, 2006, 2, 775-781

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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.