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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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 132; no. 21; pp. 7355 - 7361
Main Authors:	Hongjun Xiang, Su-Hual Wei, Xingao Gong
Format:	Article
Published:	American Chemical Society 6/2/2010
Subjects:	Genetic algorithms Ligands (Chemistry) Metal clusters Density functionals Simulation methods & models Silver Chemical bonds X-ray diffraction
Online Access:	View this record in EBSCOhost