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Deterministic Solutions for a Step-growth Polymerization
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Classical Molecular Dynamics (MD) simulations provide insight into the properties of many soft-matter systems. In some situations, it is interesting to model the creation of chemical bonds, a process that is not part of the MD framework. In this context, we propose a parallel algorithm for step- and chain-growth polymerization that is based on a generic reaction scheme, works at a given intrins...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1981
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed058p862