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This is a standalone program for a) the calculation of diffusion coefficients of sorbates inside nanoporous materials at different loadings by using transition rate constants and for b) solving the master equation for a system consisted of a large number of unit cells per each direction. It is based on the following published paper "Kolokathis, P. D., Braun, O. M.. J. Comput. Chem. 2019, 40, 2053– 2066. DOI: 10.1002/jcc.25857"
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siccom
Spatial Interaction in Coral Reef Communities
...PLoS Comput Biol 8(11): e1002791. doi:10.1371/journal.pcbi.1002791 http://www.ploscompbiol.org/doi/pcbi.1002791 Version 2.0 of the program assesses feedbacks in coral systems and is published in Kubicek A, Reuter H (2016) Mechanics of multiple feedbacks in benthic coral reef communities. Ecol Modell 329:29-40 doi:10.1016/j.ecolmodel.2016.02.018 http://authors.elsevier.com/a/1SjWD15DJ~lv6v
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