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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00872
Abstract: Accurate prediction of adsorption energies on heterogeneous catalyst surfaces is crucial to predicting reactivity and screening materials. Adsorption linear scaling relations have been developed extensively but often lack accuracy and apply to one adsorbate and…
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Keywords:
adsorption;
species adsorption;
structure;
using machine ... See more keywords
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Published in 2022 at "PeerJ"
DOI: 10.7717/peerj.12992
Abstract: The microbial gut communities of fish are receiving increased attention for their relevance, among others, in a growing aquaculture industry. The members of these communities are often split into resident (long-term colonisers specialised to grow…
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Keywords:
wall;
digesta samples;
small species;
intestinal wall ... See more keywords