Optimized geometries of orthocarborane-based model compounds calculated using DFT at the B3LYP/6-31G(d,p) level of theory (B = pink, C = grey, H = white). Atom ...
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Polymer films have been formed by electron-induced cross-linking of condensed ortho-carborane and benzene (B(10)C(2)H(X):BNZ) or pyridine (B(10)C(2)H(X):py) at ...
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We first examine the effect of plane-to-plane epitaxy, using density functional theory (DFT) to calculate the binding energies of six typical atomic stacking ...
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Apr 27, 2024 · PDF | Arenes are 2D aromatics while dicarbadodecaborane clusters are branded as 3D aromatic molecules. In this work we prepare molecules ...
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These features, explored in monomers, are starting points for the design of molecular architectures based on electronic structure properties of carborane ...
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These 3D cluster compounds show similarities to the organic aromatic molecules, as they are highly stable and can take part in electrophilic substitution ...
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Dec 1, 2021 · An alternative method is based on the Ni-catalyzed cross-coupling reactions of aryl iodides with carboranyl Grig- nard reagents. In this way, ...
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A goal of this work is to find optimal architectures where atom/ion/energy/spin transport within carborane superclusters is feasible in order to modernize and ...
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