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Published in 2019 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.11.011
Abstract: Abstract Many experimental detections and theoretical calculations have shown that the small molecules CO2, N2, CO, H2O and NH3 can be adsorbed on the graphene-family nanomaterials. The molecule CO2 can form tetrel bonds with N2,…
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Keywords:
co2;
tetrel bonding;
graphene tetrel;
bonding graphene ... See more keywords
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2
Published in 2023 at "CrystEngComm"
DOI: 10.1039/d3ce00184a
Abstract: The signs of the extrema of the molecular electrostatic surface potential (MESP) are an effective means of probing the surface reactivity behavior of molecular entities. Electrophilicity and nucleophilicity collectively explain...
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Keywords:
bond donors;
carbon nanotubes;
graphene tetrel;
nanotubes graphene ... See more keywords