Understanding the reactivity properties of Aun (6 ≤ n ≤ 13) Clusters using density functional theory based reactivity descriptors

Journal of Physical Chemistry C

Volumn 114, Issue 14, 2010, Pages 6690-6703

  Sekhar De, Himadri ^a   Krishnamurty, Sailaja ^b   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b CENTRAL ELECTROCHEMICAL RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AU CLUSTERS; CLUSTER SIZES; GOLD CLUSTERS; GROUND STATE GEOMETRY; GROUND-STATE CONFORMATIONS; HIGH ENERGY; HIGH-ENERGY ISOMERS; NUCLEOPHILIC ATTACK; REACTIVE SITE; REACTIVITY DESCRIPTORS; REACTIVITY PATTERN; REACTIVITY PROPERTIES; RELATIVISTIC DENSITY FUNCTIONAL THEORY; SIZE AND SHAPE;

ATOMS; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; GEOMETRY; GROUND STATE; HIGH ENERGY PHYSICS; ISOMERS;

GOLD COMPOUNDS;

EID: 77951061352     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1004852     Document Type: Article

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