Hydrogen peroxide as oxidant in bio-mimetic catalysis by manganese porphyrin: Theoretical DFT studies

Canadian Journal of Chemistry

Volumn 91, Issue 7, 2013, Pages 642-647

  Drzewiecka Matuszek, Agnieszka ^a   Rutkowska Zbik, Dorota ^a   Witko, Malgorzata ^a  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

Density Functional Theory (DFT); Hydrogen peroxide (H2O2); Manganese porphyrin

Indexed keywords

ACTIVE OXYGEN SPECIES; CATALYTIC PROPERTIES; CHARGE TRANSFER PROCESS; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY METHODS; INTER-ATOMIC DISTANCES; MANGANESE PORPHYRINS; OXYGEN-CONTAINING LIGANDS;

CHARGE TRANSFER; CHEMICAL COMPOUNDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYDROGEN PEROXIDE; IONIZATION OF GASES; LIGANDS; PEROXIDES; PORPHYRINS;

MANGANESE;

EID: 84879373337     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/cjc-2012-0513     Document Type: Article

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