Architectures, electronic structures, and stabilities of Cu-doped Ge n clusters: Density functional modeling

Journal of Molecular Modeling

Volumn 18, Issue 8, 2012, Pages 3887-3902

  Bandyopadhyay, Debashis ^a  

^a BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

Author keywords

Binding energy; Clusters and nanoclusters; Density functional theory; Electron affinity; Embedding energy; Ionization potential

Indexed keywords

COPPER DERIVATIVE; COPPER DOPED GERMANIUM CLUSTER; GERMANIUM DERIVATIVE; UNCLASSIFIED DRUG;

ARCHITECTURE; ARTICLE; ATOM; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRONICS; ENERGY; GEOMETRY; HARDNESS; IONIZATION; PRIORITY JOURNAL; THERMODYNAMICS;

ALGORITHMS; COMPUTER SIMULATION; COORDINATION COMPLEXES; COPPER; GERMANIUM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84864696451     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1374-7     Document Type: Article

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