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Showing 1 to 4 of 4 for “"crystallographic database"”.
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N-Heterocyclic Carbenes of the Late Transition Metals: A Computational and Structural Database Study
… computational chemistry analysis combined with a crystallographic database study of the bonding in late transition metal N-heterocyclic carbene (NHC) complexes is reported. The results illustrate a metal-carbon bond for these complexes, approximately 4% shorter than that of a M-C single bond found …
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Development of Niobium Boron grain retainer for aluminium silicon alloys
… which can refine Al-Si alloy grains. Based on a crystallographic database search and intermetallic phases found in Aluminium–Niobium-Boron, there exists several iso-structural phases similar to those of Al3Ti and TiB2. We have selected a phase which exhibits chemical phase stability with Si …
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Probing regioselectivity in the Diels -Alder cycloadditions between *[60]fullerene and aryl substituted acenes
… adducts. A careful review of the Cambridge Crystallographic Database reveals numerous instances of aryl CH/fullerene contacts within 3 A. The combined results suggest that aryl CH-fullerene pi interactions play a significant role in fullerene-acene chemistries. The tantalizing possibility …