Structures of [Ag(SR)] and [Ag(DMSA)].

We have developed a new genetic algorithm approach to search for the global lowest-energy structures of ligand-protected metal clusters. In combination with density functional theory, our genetic algorithm simulations show that the ground state of [Ag(DMSA)]¯ has eight instead of four Ag-S bonds and...

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Publicado en:	Journal of the American Chemical Society Vol. 132; no. 21; pp. 7355 - 7361
Autores principales:	Hongjun Xiang, Su-Hual Wei, Xingao Gong
Formato:	Artículo
Publicado:	American Chemical Society 6/2/2010
Materias:	Genetic algorithms Ligands (Chemistry) Metal clusters Density functionals Simulation methods & models Silver Chemical bonds X-ray diffraction
Acceso en línea:	Ver este registro en EBSCOhost