Non-self-interactions

The Langmuir model describes, for a uniform surface and a non-self-interacting adsorbate, the relationship between amount adsorbed and exposure concentration. The parameters of the model are the maximum amount adsorbed as a full monolayer and the equilibrium constant for the adsorption-desorption process which indirectly reflects the strength of the adsorbate-substrate interaction. For the present situation the analysis is modified in the following ways ... 

Manoh, S. D., Whitehead, M. A. (1988). Generalized-exchange local-spin-density-functional theory calculation and results for non-self-interaction-corrected and self-inter-action-corrected theories. Phys. Rev. A 38, 3187-3199. 

Encl[p] is the non-classical contribution to the electron-electron interaction containing all the effects of self-interaction correction, exchange and Coulomb correlation described previously. It will come as no surprise that finding explicit expressions for the yet unknown functionals, i. e. T[p] and Encl[p], represents the major challenge in density functional theory and a large fraction of this book will be devoted to that problem. 

An alternative way for the generation of a bidentate ligand makes use of a self-assembly process of monodentate to bidentate ligands employing non-covalent interactions [87]. 

Two-dimensional planar interpenetrating networks have been formed using the spacer ligand 2,2 -bis-l,6-naphthyridine with a zinc salt.274 Helicate structures have been synthesized which rely heavily on non-covalent interactions in the metal-assisted self-assembly process in solution.275... 

Building blocks (monomers) for enzyme-controlled supramolecular polymerisations are comprised of three components (1) an enzyme-specific target (biomolecule based on the enzyme s substrate specificity), (2) a self-assembly component that directs the non-covalent interaction responsible for supramolecular polymerisation, and (3) a molecular switch component that prevents precursor self-assembly and activates self-assembly upon enzyme action. 

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