Molecular dynamics simulation of organic
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Ou, Jane J.; Chen, Shaw H.
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Article
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1998
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John Wiley and Sons
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English
β 225 KB
A computer code was prepared for the molecular dynamics MD simulation of a multimolecular system to atomic resolution. Based on a widely Γ£ccepted force field and aided by simulated annealing of single molecules, V Γ£nd E were computed for ortho-terphenyl and 1,3,5-tri-β£-naphthyl benzene across an ext