Selective Oxidation of Amorphous Carbon by CO2to Produce Fe@C Nanoparticles from Bulky Fe/C Matrices
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چکیده
منابع مشابه
Accurate ab initio calculations of the ground states of FeC, FeC(+), and FeC(-).
For the ground states of the diatomic carbide FeC(X (3)Delta) and its ions, FeC(+)(X (2)Delta) and FeC(-)(X (2)Delta), we report on accurate multireference variational ab initio results employing augmented correlation consistent basis sets of quintuple cardinality. The dissociation energies and bond lengths are found to be D(0) (0)=87+/-1, 95.2, and 84+/-1 kcal/mol at r(e)=1.581, 1.556, and 1.6...
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ژورنال
عنوان ژورنال: Journal of the Brazilian Chemical Society
سال: 2015
ISSN: 0103-5053
DOI: 10.5935/0103-5053.20150212