Scanning the potential energy surface for synthesis of dendrimer-wrapped gold clusters: Design rules for true single-molecule nanostructures

ACS Nano

Volumn 6, Issue 4, 2012, Pages 3007-3017

  Thompson, Damien ^a   Hermes, Jens P ^b   Quinn, Aidan J ^a   Mayor, Marcel ^b,c  

^a UNIVERSITY COLLEGE CORK   (Ireland)

^b UNIVERSITY OF BASEL   (Switzerland)

^c KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

electronic structure calculations; molecular dynamics simulations; multivalent interactions; nanoelectronics; organic inorganic interfaces

Indexed keywords

ATOMIC SCALE STRUCTURES; BINDING ORIENTATION; BUILDING BLOCKES; COVALENT ANCHORING; DESIGN RULES; DESOLVATION; DESOLVATION BARRIERS; ELECTRON TRANSFER; ELECTRONIC STRUCTURE CALCULATIONS; GOLD CLUSTERS; INTERPARTICLE DISTANCES; LARGE-SCALE PRODUCTION; MOLECULAR DYNAMICS SIMULATIONS; MULTI-SITE; MULTIDENTATE; MULTIVALENT INTERACTIONS; NONCOVALENT; ORGANIC LIGANDS; ORGANIC-INORGANIC INTERACTIONS; ORGANIC-INORGANIC INTERFACE; SINGLE-MOLECULE; THIOETHERS;

BENZENE; BINDING ENERGY; CHELATION; CHEMICAL PROPERTIES; COMPUTER SIMULATION; CONFORMATIONS; DENDRIMERS; ELECTRONIC STRUCTURE; GOLD; LIGANDS; MOLECULAR DYNAMICS; MOLECULES; NANOELECTRONICS; NANOPARTICLES; PYRIDINE; QUANTUM CHEMISTRY; SYNTHESIS (CHEMICAL);

GOLD COMPOUNDS;

DENDRIMER; GOLD; NANOMATERIAL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON TRANSPORT; METHODOLOGY; NANOTECHNOLOGY; THERMODYNAMICS;

DENDRIMERS; ELECTRON TRANSPORT; GOLD; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NANOSTRUCTURES; NANOTECHNOLOGY; THERMODYNAMICS;

EID: 84860357296     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn204470g     Document Type: Article

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