Bonding and electronic structures in W@Au12AE complexes (AE= NO+, CO, BF, CN-, or BO-): Analogies among ligands isoelectronic to carbon monoxide

Journal of Molecular Modeling

Volumn 16, Issue 1, 2010, Pages 9-16

  Fu, Yi ^a   Li, Jia ^a   Wang, Shu Guang ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Back donation; Closed shell; Density functional; Gold cluster

Indexed keywords

BORON; CARBON MONOXIDE; GOLD; NITROGEN OXIDE;

ADSORPTION; ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DECOMPOSITION; ENERGY DECOMPOSITION; LIGAND BINDING; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

BORON; CARBON MONOXIDE; CATALYSIS; COORDINATION COMPLEXES; GOLD; KINETICS; LIGANDS; MODELS, THEORETICAL; MOLECULAR STRUCTURE;

EID: 71349083958     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0517-y     Document Type: Article

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