Relativistic-consistent electron densities of the coinage metal clusters M2, M4, M42-, and M 4Na2 (M = Cu, Ag, Au): A QTAIM study

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 13024-13035

  Sadjadi, Seyedabdolreza ^a   Matta, Chérif F ^b,c   Lemke, Kono H ^a   Hamilton, I P ^d  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

^b MOUNT SAINT VINCENT UNIVERSITY   (Canada)

^c DALHOUSIE UNIVERSITY   (Canada)

^d WILFRID LAURIER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; BOND CRITICAL POINTS; CHARGE DENSITY DISTRIBUTIONS; COINAGE METAL CLUSTERS; CORRELATION CONSISTENT BASIS SETS; DELOCALIZATIONS; ELECTRON DENSITIES; ELECTRON PAIR; GAIN INSIGHT; METAL ATOMS; METAL-METAL BONDING; METAL-METAL BONDS; MOLECULAR GRAPHS; NEGATIVE CHARGE; NEGATIVE CURVATURE; NON-NUCLEAR ATTRACTORS; PERTURBATION THEORY; QUANTUM THEORY OF ATOMS IN MOLECULES; SECOND ORDERS; TETRAMERS; TOPOLOGICAL PROPERTIES; TOTAL ENERGY;

CARRIER CONCENTRATION; CHEMICAL BONDS; COINAGE; DENSITY FUNCTIONAL THEORY; DIMERS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; MINTS; PERTURBATION TECHNIQUES; QUANTUM THEORY; TOPOLOGY;

METALS;

EID: 80855156891     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp204993r     Document Type: Article

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