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This paper reports on the embedded-atom method (EAM, developed by Johnson) calculations of adsorption parameters for Cu and Ni on {110} unrelaxed substrates of Mo and W. The following are calculated: (i) the equilibrium height h c of an adatom; (ii) the optimum coefficients W 0 A hk of a truncated Fourier representation of the adatom-substrate interaction potential; (iii) the desorption energies E des ; and (iv) the activation energies Q of surface migration. It is shown that (a) the calculated values of E des agree satisfactorily with available empirical data; (b) the scale factor W 0 is approximately proportional to the bonding as measured by E des , whereas the normalized coefficients A hk are determined by the {110} substrate symmetry; (c) E des and Q are respectively dominated by the embedding energy and pair potential of the EAM; and (d) W 0 and E des for an atom in a monolayer are only about half as much as the corresponding quantities for an isolated atom.  相似文献   
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Matthias Stoop 《Tetrahedron》2007,63(17):3440-3449
The synthesis of the novel, fluorescent 3-aminobiphenyl-C-nucleoside M as well as the corresponding building block for oligodeoxynucleotide synthesis is described. M was incorporated into oligodeoxynucleotides via standard phosphoramidite chemistry and the thermal stabilities of duplexes with one and three consecutive M-M, M-P, and M-O pairs, where P denotes an unmodified biphenyl C-nucleoside and O a 3,5-dinitrobiphenyl-C-nucleoside, were determined. It was found that duplexes containing three consecutive M-O pairs were the most stable in the series, notably more stable than a duplex with one additional natural G-C pair instead of the modified residues. Furthermore it was found that the fluorescence of M is efficiently quenched in a duplex when placed opposite to the dinitrophenyl unit O. Thus M and O constitute a novel fluorophore/quencher pair that is orthogonal to natural base pairs in its recognition properties enabling its use as highly specific tags with reporting properties.  相似文献   
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Complex noiseless dynamical systems can be represented in a compressed manner by unstable periodic orbits. It is unknown, however, how to use this technique to obtain a suitable notion of similarity among them, how to extend such an approach to more general complex networks, and how to apply such a method in the important case of noisy systems. Our approach provides a solution to these questions. For a proof-of-concept, we consider Drosophila's precopulatory courtship, where our method reveals the existence of a complex grammar (similar to those found in complex physical systems and in language), leading to the conclusion that the observed grammar is very unlikely the product of chance.  相似文献   
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