Theoretical study of nickel porphyrinate derivatives related to catalyst dopant in the oil industry

Journal of Molecular Catalysis A: Chemical

Volumn 228, Issue 1-2 SPEC. ISS., 2005, Pages 195-202

  García Cruz, Isidoro ^a   Martínez Magadán, José Manuel ^a   Alvarez Ramirez, Fernando ^a   Salcedo, Roberto ^a,b   Illas, Francesc ^a,c  

^a INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Crude oil; DFT calculations; Electronic structure; Nickel porphyrin

Indexed keywords

CATALYST POISONING; CATALYSTS; CRUDE PETROLEUM; DERIVATIVES; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; PORPHYRINS; ZEOLITES;

ELECTRONIC STATES; ENERGY EXCITATION; OPTICAL SPECTRA; SORET BANDS;

NICKEL COMPOUNDS;

PETROLEUM; POISON; PORPHYRIN DERIVATIVE; SULFIDE; ZEOLITE;

CATALYST; CHEMICAL STRUCTURE; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRONICS; ENERGY; EXCITATION; INTOXICATION; MOLECULE; OIL INDUSTRY; RELIABILITY; SPECTRUM;

EID: 12844259085     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2004.09.038     Document Type: Conference Paper

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