Extending and simplifying the electronegativity equalization method

Journal of Molecular Catalysis A: Chemical

Volumn 134, Issue 1-3, 1998, Pages 79-88

  Njo, Swie Lan ^a   Fan, Jianfen ^a   Van De Graaf, Bastiaan ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Charge distribution; EEM parameterization; Germanium and titanium EEM parameters; Molecular dynamics calculations; Shielded potential

Indexed keywords

EID: 0032530991     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(98)00024-7     Document Type: Conference Paper

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