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Published in 2023 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/d3cp01710a
Abstract: The doping of atomic clusters with transition metal atoms modifies to a lesser or greater extent the catalytic properties of pure specimens. Here we study by means of DFT the...
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Keywords:
au10 au9zn;
au9zn planar;
adsorption au10;
clusters comparative ... See more keywords
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1
Published in 2022 at "Molecules"
DOI: 10.3390/molecules27051469
Abstract: In the recently introduced phenomenological diatomic molecular model imagining the clusters as certain constructions of pair interatomic chemical bonds, there are estimated specific (per atom) binding energies of small all-boron planar clusters Bn, n =…
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Keywords:
boron;
molecular model;
diatomic molecular;
planar clusters ... See more keywords