Pulling Monatomic Gold Wires with Single Molecules: An Ab Initio Simulation

Physical Review Letters

Volumn 89, Issue 18, 2002, Pages

  Krüger, Daniel ^a   Fuchs, Harald ^a   Rousseau, Roger ^b   Marx, Dominik ^b   Parrinello, Michele ^c  

^a UNIVERSITY OF MÜNSTER   (Germany)

^b RUHR UNIVERSITY BOCHUM   (Germany)

^c Centro Svizzero Di Calcolo Scientifico   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; GOLD; MOLECULES; WIRE;

MONOATOMIC GOLD WIRES; RUPTURE; SINGLE THIOLATE MOLECULE;

MOLECULAR DYNAMICS;

EID: 0038206392     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.89.186402     Document Type: Article

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