Computational Chemistry Methods for Nanoporous Materials
نویسندگان
چکیده
We present here the computational chemistry methods our group uses to investigate the physical and chemical properties of nanoporous materials and adsorbed fluids. We highlight the multiple time and length scales at which these properties can be examined and discuss the computational tools relevant to each scale. Furthermore, we include the key points to considerupsides, downsides, and possible pitfallsfor these methods.
منابع مشابه
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