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• W2016246229 abstract "A generally applicable and systematic prediction of crystal structures and their properties has been an important goal of crystallography and materials science. Here we present such a general and systematic approach. This approach is based on a combination of graph theory with quantum mechanics. As an application, structures, properties and relative stabilities of small hypothetical carbon polymorphs with up to six atoms per unit cell are presented." @default.
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• W2016246229 date "2001-03-01" @default.
• W2016246229 modified "2023-09-27" @default.
• W2016246229 title "Systematic prediction of crystal structures" @default.
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• W2016246229 doi "https://doi.org/10.1016/s0009-2614(01)00126-9" @default.
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