A theoretical study of the [FeCN]+ system: Cyanide-isocyanide competition and isomerization barrier

Chemical Physics Letters

Volumn 445, Issue 1-3, 2007, Pages 22-27

  Redondo, Pilar ^a   Rayón, Víctor M ^a   Valdés, Haydee ^b   Barrientos, Carmen ^a   Largo, Antonio ^a  

^a UNIVERSITY OF VALLADOLID   (Spain)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY; CYANIDES; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; FREE RADICALS; ISOMERIZATION; ISOMERS;

ISOCYANIDE; ISOMERIZATION BARRIERS; MULTI-REFERENCE TECHNIQUES;

IRON COMPOUNDS;

EID: 34548011688     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.07.064     Document Type: Article

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