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Majid Eslami et al.
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Yihan Shao et al.
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Black phosphorus field-effect transistors
Likai Li et al.
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Ning Ding et al.
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Tian Lu et al.
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Swati Panigrahi et al.
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A. Ambrosetti et al.
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Interaction of nucleic acid bases and Watson-Crick base pairs with fullerene: Computational study
Manoj K. Shukla et al.
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Stefan Grimme et al.
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Piotr Cysewski et al.
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Shannon entropy as a new measure of aromaticity, Shannon aromaticity
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Oscar Huertas et al.
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