Application of 1111-67-7, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. Application of 1111-67-7, Name is Cuprous thiocyanate, molecular formula is CCuNS. In a Article, authors is Packwood, Daniel M£¬once mentioned of Application of 1111-67-7
Disorder-robust bands from anisotropic orbitals in a coordination polymer semiconductor
While the effects of structural disorder on the electronic properties of solids are poorly understood, it is widely accepted that spatially isotropic orbitals lead to robustness against disorder. In this paper, we use first-principles calculations to show that a cluster of occupied bands in the coordination polymer semiconductor beta-copper(I) thiocyanate undergo relatively little fluctuation in the presence of thermal disorder-a surprising finding given that these bands are composed of spatially anisotropic d-orbitals. Analysis with the tight-binding method and a stochastic network model suggests that the robustness of these bands to the thermal disorder can be traced to the way in which these orbitals are aligned with respect to each other. This special alignment causes strong inverse statistical correlations between orbital-orbital distances, making these bands robust to random fluctuations of these distances. As well as proving that disorder-robust electronic properties can be achieved even with anisotropic orbitals, our results provide a concrete example of when simple ‘averaging’ methods can be used to treat thermal disorder in electronic structure calculations.
The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 1111-67-7 is helpful to your research. Application of 1111-67-7
Reference£º
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”