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All-atom force field for molecular dynamics simulations on organotransition metal solids and liquids. Application to M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) compounds

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Description scientific article published on 21 October 2013
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author: Manuel E Minas da Piedade  Carlos E. S. Bernardes  José Nuno Canongia Lopes 

Publication date October 21, 2013
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