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• W1999647583 abstract "Hydrogenated amorphous carbon structures, a-C:H, with densities of 1.8 and 2.0 g/${mathrm{cm}}^{3}$, have been generated by semiempirical density-functions (DF) molecular-dynamics (MD) rapid cooling of a liquid phase of 128 carbon and 64 hydrogen atoms within periodically arranged cubic supercells. The electronic bonding properties of the model structures are analyzed within a local-orbital description. The structural properties are compared to relevant statistical and diffraction data obtained by neutron scattering and NMR in order to achieve a fundamental understanding of structure-related properties on the molecular level of chemical bonding." @default.
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• W1999647583 date "1994-09-01" @default.
• W1999647583 modified "2023-09-27" @default.
• W1999647583 title "Structural properties of amorphous hydrogenated carbon. IV. A molecular-dynamics investigation and comparison to experiments" @default.
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• W1999647583 doi "https://doi.org/10.1103/physrevb.50.6709" @default.
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