Measuring electron sharing between atoms in first-principle simulations

Theoretical Chemistry Accounts

Volumn 130, Issue 1, 2011, Pages 27-36

  la Penna, Giovanni ^a   Furlan, Sara ^b   Solà, Miquel ^c  

^a CNR   (Italy)

^b CNRS   (France)

^c UNIVERSITY OF GIRONA   (Spain)

Author keywords

Computer simulations; Delocalization index; Density functional theory

Indexed keywords

EID: 80051913598     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0955-3     Document Type: Article

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