How does fe+ activate c-c and c-h bonds in ethane? a theoretical investigation using density functional theory

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6236-6242

  Holthausen, Max C ^a   Fiedler, Andreas ^a   Schwarz, Helmut ^a   Koch, Wolfram ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BINDING ENERGY; CHEMICAL BONDS; IONS; IRON COMPOUNDS; MATHEMATICAL MODELS; PHYSICAL CHEMISTRY; TRANSITION METAL COMPOUNDS;

BOND ACTIVATIONS; DENSITY FUNCTIONAL THEORY; IRON CATIONS; POTENTIAL ENERGY SURFACES;

ETHANE;

EID: 0030123831     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp952774l     Document Type: Article

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