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- W2100052617 abstract "In the present work, information entropies have been calculated for oxygen allotropes, known from experimental and theoretical studies. According to the calculations, only three allotropes (O2, O3 (D3h), and O8 (D4h)) have zero information entropies. In terms of the Shannon approach, it indicates high possibility of their formation. Indeed, O2 is a long-time known compound whereas O8 (D4h) cluster is a structural block of the ε-phase of solid oxygen, which has been experimentally studied with X-ray diffraction. The closed form of ozone, the third zero-entropy structure, has not been synthesized at the moment and accompanied with debates around its existence. It has zero information entropy as two other obtained allotropes, so the information approach provides an additional argument in favor of its achievability. A way to increase its stability via encapsulation into molecular cages is discussed." @default.
- W2100052617 created "2016-06-24" @default.
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- W2100052617 date "2015-12-01" @default.
- W2100052617 modified "2023-10-16" @default.
- W2100052617 title "Information entropy of oxygen allotropes. A still open discussion about the closed form of ozone" @default.
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- W2100052617 doi "https://doi.org/10.1016/j.comptc.2015.09.016" @default.
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