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]
Abstract is missing.