Quantum chemical modeling of the adsorption of chloride ion and water molecule on group 1B metals

Protection of Metals and Physical Chemistry of Surfaces

Volumn 45, Issue 2, 2009, Pages 137-146

  Nechaev, I V ^a   Vvedenskii, A V ^a  

^a VORONEZH STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; ATOMIC CLUSTERS; CHEMISORPTION BOND; CHLORIDE IONS; CHLORINE ATOM; CLUSTER SURFACES; CONTINUUM MODEL; CRYSTAL FACE; DEFECT-FREE; DFT-B3LYP; EFFECTIVE CHARGE; ELECTRON DENSITIES; GASPHASE; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOLLOW SITES; HYDRATION EFFECTS; HYDRATION SHELL; LITERATURE DATA; LOW INDEX; METAL CLUSTER; MOLECULAR CHARACTERISTICS; NORMAL ORIENTATION; QUANTUM CHEMICAL MODELING; SIX WATER MOLECULES; STABLE CONFIGURATION; WATER MOLECULE;

ADSORPTION; ATOMIC BEAMS; CHEMISORPTION; CHLORINE; CONTINUUM MECHANICS; DEWATERING; GOLD COMPOUNDS; HYDRATION; HYDROPHILICITY; IONS; METALS; MOLECULAR ORBITALS; MOLECULES; SILVER;

CHLORINE COMPOUNDS;

EID: 73349133308     PISSN: 20702051     EISSN: None     Source Type: Journal    
DOI: 10.1134/S2070205109020026     Document Type: Article

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