Charge displacement analysis: A new general method to estimate atomic charges in molecules and clusters

Journal of Molecular Catalysis A: Chemical

Volumn 119, Issue 1-3, 1997, Pages 3-10

  Bagus, P S ^a   Clotet, A ^b   Curulla, D ^b   Illas, F ^a   Ricart, J M ^b  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

Atomic charges; Charge displacement analysis; Chemisorption; Copper; Manganese oxide; Methane

Indexed keywords

EID: 0030905611     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(97)80041-6     Document Type: Article

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