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Paper

Development of a semiempirical potential for simulations of thiol–gold interfaces. Application to thiol-protected gold nanoparticles

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a
INFIQC/CONICET, Departamento de Matemática y Física, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba (XUA5000), Córdoba, Argentina
E-mail: marcelo.mariscal@conicet.gov.ar
b
ISMAC-Istituto per lo Studio delle Macromolecole del CNR, via E. Bassini 15, 20133 Milano, Italy
Phys. Chem. Chem. Phys., 2011,13, 6500-6506

DOI: 10.1039/C0CP02921A
Received 20 Dec 2010, Accepted 03 Feb 2011
First published online 09 Mar 2011
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