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cond-mat2001
Entropic effects on the structure of Lennard-Jones clusters
Jonathan P. K. Doye, Florent Calvo
We examine in detail the causes of the structural transitions that occur for those small Lennard-Jones clusters that have a non-icosahedral global minima. Based on the principles l…
cond-mat2001
Modelling the structure of clusters of C_60 molecules
Jonathan P. K. Doye, David J. Wales, Wolfgang Branz +1
We locate putative global minima for (C_60)_N clusters modelled by the potential of Pacheco and Prates-Ramalho up to N=105. These minima are based on icosahedral packing up to N=15…