WebJul 20, 2010 · F. Bresme, E. Chacón, P. Tarazona Published 20 July 2010 Chemistry Molecular Physics We investigate the performance of different force-fields for alkanes, united (TraPPE) and all atom (OPLS-AA) models, and water (SPC/E and TIP4P-2005), in the prediction of the interfacial structure of alkane (n-octane, and n-dodecane)–water interfaces. http://www.comercialbresme.com/Hornillo-Port%C3%A1til-Piezo
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