Structural model of arsenic(III) adsorbed on gibbsite based on DFT calculations

Journal of Molecular Structure: THEOCHEM

Volumn 762, Issue 1-3, 2006, Pages 17-23

  Oliveira, Augusto F ^a,c   Ladeira, Ana Cláudia Q ^a,b   Ciminelli, Virgínia S T ^a   Heine, Thomas ^c   Duarte, Hélio A ^a  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b CENTRO DE DESENVOLVIMENTO DA TECNOLOGIA NUCLEAR   (Brazil)

^c DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Adsorption; Arsenic; As(III); Cluster model; DFT; Gibbsite; H3AsO3

Indexed keywords

EID: 33747325622     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.038     Document Type: Article

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