The interaction of vanadyl porphyrin with the HY zeolite surface

Journal of Molecular Catalysis A: Chemical

Volumn 307, Issue 1-2, 2009, Pages 64-70

  Zaragoza, I P ^a   Santamaria, R ^a   Salcedo, R ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Born Oppenheimer molecular dynamics; Density functional theory; HY zeolite; Vanadyl porphyrin; Zeolite cracking

Indexed keywords

ACID SITE; BORN-OPPENHEIMER; BORN-OPPENHEIMER MOLECULAR DYNAMICS; DYNAMIC INTERACTION; ENERGY OPTIMIZATION; HY ZEOLITE; LOW PROBABILITY; MOLECULAR DYNAMICS TECHNIQUES; O-H BOND; RELATIVE ENERGIES; STRUCTURAL CHANGE; SURFACE ACID SITES; VANADYL; VANADYL PORPHYRIN; ZEOLITE SURFACES;

ACIDS; CRACKING (CHEMICAL); CRYSTAL STRUCTURE; DYNAMICS; MOLECULAR DYNAMICS; PORPHYRINS; VANADIUM COMPOUNDS; ZEOLITES;

DENSITY FUNCTIONAL THEORY;

EID: 66849124873     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2009.03.011     Document Type: Article

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