Revealing the bonding pattern from the molecular electron density using single exponential decay detector: An orbital-free alternative to the electron localization function

ChemPhysChem

Volumn 13, Issue 15, 2012, Pages 3462-3465

  De Silva, Piotr ^a   Korchowiec, Jacek ^b   Wesolowski, Tomasz A ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

bonding; computational chemistry; electron density; electron localization function; single exponential decay detector

Indexed keywords

BONDING; CARRIER CONCENTRATION; CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; ELECTRON DENSITY MEASUREMENT; FUNCTION EVALUATION; INFORMATION RETRIEVAL; MOLECULES;

BONDING PATTERNS; ELECTRON LOCALIZATION FUNCTION; EXPLICIT INFORMATION; EXPONENTIAL DECAYS; EXTRACT INFORMATIONS; MOLECULAR ASSEMBLY; MOLECULAR ELECTRON DENSITY; SECOND ORDERS;

ELECTRONS;

EID: 84867527573     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201200500     Document Type: Article

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