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Meysam Akhtar et al.
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S. Wu et al.
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Alexandra Carvalho et al.
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Anisotropic in-plane thermal conductivity observed in few-layer black phosphorus
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Tony Low et al.
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Xihong Peng et al.
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Jin-Wu Jiang et al.
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Peng Zhang et al.
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Joerg Behler et al.
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
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