Article : texte imprimé

Force fields and point charges for crystal structure modeling

Michael Svärd, Auteur ; Åke C. Rasmuson, Auteur |

Dans Industrial & engineering chemistry research (Vol. 48 N° 6, Mars 2009)

Molecular simulation is increasingly used by chemical engineers and industrial chemists in process and product development. In particular, the possibility to predict the structure and stability of potential polymorphs of a substance is of tremen[...]

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