Chemical structures from the analysis of domain-averaged fermi holes. Nature of the Mn-Mn bond in bis(pentacarbonylmanganese)

Journal of Computational Chemistry

Volumn 26, Issue 5, 2005, Pages 447-454

  Ponec, Robert ^a   Yuzhakov, Gleb ^a   Sundberg, Markku R ^b  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b UNIVERSITY OF HELSINKI   (Finland)

Author keywords

Chemical structures; Fermi holes; Mn Mn bond

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; FERMI LEVEL; MANGANESE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING; TOPOLOGY;

CHEMICAL STRUCTURES; FERMI HOLES; INTRAMOLECULAR INTERACTIONS; MN-MN BONDS;

STRUCTURE (COMPOSITION);

EID: 16244413611     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20182     Document Type: Article

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