Reduction of nitroaromatic compounds on the surface of metallic iron: Quantum chemical study

International Journal of Molecular Sciences

Volumn 3, Issue 7, 2002, Pages 801-813

  Zilberberg, Igor ^a,b   Pelmenschikov, Alexander ^a   McGrath, Christian J ^c   Davis, William M ^c   Leszczynska, Danuta ^d   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c US ARMY ENGINEER RESEARCH AND DEVELOPMENT CENTER   (United States)

^d FAMU FSU COLLEGE OF ENGINEERING   (United States)

Author keywords

Metallic iron; Nitroaromatic compounds; Nitrobenzene reduction; Nitrosobenzene; Semiempirical method NDDO MC

Indexed keywords

IRON; NITROBENZENE;

ADSORPTION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CRYSTAL STRUCTURE; DISSOCIATION; ELECTRICITY; ELECTRON; GEOMETRY; MOLECULAR INTERACTION; MOLECULAR MODEL; QUANTUM CHEMISTRY; REDUCTION;

GOES;

EID: 2942749363     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i3070801     Document Type: Article

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