DFT study on structure, electronic properties, and reactivity of cis-isomers of [(NC5H4-S)2Fe(CO)2]

Journal of Chemical Sciences

Volumn 123, Issue 5, 2011, Pages 727-731

  Mebi, Charles A ^a  

^a ARKANSAS TECH UNIVERSITY   (United States)

Author keywords

Chemical hardness; Computational chemistry; Hydrogenase model; Iron carbonyl; Isomer; Transition metal

Indexed keywords

CHEMICAL STABILITY; COMPUTATIONAL CHEMISTRY; ELECTRONIC PROPERTIES; HARDNESS; PLANTS (BOTANY); TRANSITION METALS;

CHEMICAL HARDNESS; ELECTRONIC CHEMICAL POTENTIAL; ELECTROPHILICITY; EXPERIMENTAL VALUES; HYDROGENASES; IRON CARBONYL; REACTIVITY DESCRIPTORS; RELATIVE STABILITIES;

ISOMERS;

EID: 80053926095     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-011-0131-2     Document Type: Article

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