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Showing 1 to 1 of 1 for “"first shell substitution effect"”.
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Computational modelling of polymer network formation
… them on a theoretical level, based on the First Shell Substitution Effect (FSSE) model of polymerisation. The FSSE framework was used to evaluate a coarse-grained simulational method, benchmarked against a fine-grained, atomistic model that was constructed using Reactive Molecular Dynamics …