Force fields for metallic clusters and nanoparticles

Journal of Computational Chemistry

Volumn 32, Issue 8, 2011, Pages 1711-1720

  Legenski, Nicole ^a   Zhou, Chenggang ^b   Zhang, Qingfan ^b   Han, Bo ^b   Wu, Jinping ^b   Chen, Liang ^c   Cheng, Hansong ^b,d   Forrey, Robert C ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b CHINA UNIVERSITY OF GEOSCIENCES   (China)

^c NINGBO INSTITUTE OF MATERIALS TECHNOLOGY AND ENGINEERING   (China)

^d NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

clusters; force field; nanoparticles; potential energy function

Indexed keywords

ATOMIC FORCE FIELD; BINARY METALLIC SYSTEMS; CLUSTER CONFIGURATIONS; CLUSTERS; EMBEDDED-ATOM METHOD; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL DATA; EXTENSIVE TESTING; FORCE FIELD; FORCE FIELDS; GENERALIZED GRADIENTS; GOLD CLUSTERS; MANY-BODY POTENTIALS; METALLIC CLUSTERS; PARAMETRIZATIONS; SIZE AND SHAPE; SURFACE ENERGIES; TRAINING SETS;

BINDING ENERGY; EMBEDDED SYSTEMS; GOLD COMPOUNDS; MOLECULAR DYNAMICS; NANOPARTICLES; POTENTIAL ENERGY FUNCTIONS; SILVER; STABILITY CRITERIA; SURFACE CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 79953751426     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21753     Document Type: Article

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