Browsing by Author "Peukert, Wolfgang"
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A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals
Altınbaş Özpınar, Gül; Beierlein, Frank R.; Peukert, Wolfgang; Zahn, Dirk; Clark, Timothy (Springer, 2012)Molecular-dynamics (MD) simulations of urea crystals of different shapes (cubic, rectangular prismatic, and sheet) have been performed using our previously published force field for urea. This force field has been validated ...