๐”– Bobbio Scriptorium
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Molecular Dynamics Simulations of Gas Phase Condensation of Silicon Carbide Nanoparticles

โœ Scribed by P. Erhart; K. Albe


Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
628 KB
Volume
7
Category
Article
ISSN
1438-1656

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## Abstract We have explored the impact of a number of basic simulation parameters on the results of a recently developed hybrid molecular dynamicsโ€quantum mechanics (MDโ€QM) method (Mercer et al., J Phys Chem B 1999, 103, 7720). The method utilizes MD simulations to explore the groundโ€state configu