Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics - Crystal orbital analysis

Mohammad Alaghemandi, Joachim Schulte, Frédéric Leroy, Florian Müller-Plathe, Michael C. Böhm. Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics - Crystal orbital analysis. Journal of Computational Chemistry, 32(1):121-133, 2011. [doi]

Authors

Mohammad Alaghemandi

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Joachim Schulte

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Frédéric Leroy

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Florian Müller-Plathe

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Michael C. Böhm

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