Browsing General by Author "Garcia-Suarez, Victor"

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Browsing General by Author "Garcia-Suarez, Victor"

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  • Hoft, Rainer; Garcia-Suarez, Victor; Lambert, Colin; Cortie, Michael; Ford, Mike (IOP Publishing, 2008)
    We perform density functional theory (DFT) calculations of the stretching of Au(111)?X?Au(111) molecular junctions where X is either a thiyl or ethynyl biradical. The equilibrium geometries for the radicals adsorbing on ...