Polynitrocubanes are one of the most important derivatives of cubane.
多硝基立方烷是立方烷的重要衍生物之一。
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Polynitrocubanes are one of the most important derivatives of cubane and belong to the new type of high energetic density materials (HEDM) with high strain and cage structure.
Though cubane-like clusters show little values, our calculations indicate that it is possible to obtain NLO crystals with large values by further appropriate molecular design.