Topological description of the bond-breaking and bond-forming processes of the alkene protonation reaction in zeolite chemistry: An AIM study

Journal of Molecular Modeling

Volumn 17, Issue 10, 2011, Pages 2501-2511

  Zalazar, María Fernanda ^a,b   Peruchena, Nélida Maria ^a  

^a UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

^b UNIVERSIDAD TECNOLÓGICA NACIONAL   (Argentina)

Author keywords

Acid catalyzed alkenes protonation; Carbenium ion; Catalysis; Electron density; Heterogeneous catalysis; Intrinsic reaction coordinate

Indexed keywords

ALKENE; CARBON; HYDROGEN; OXYGEN; ZEOLITE;

ARTICLE; ATOM; BOND BREAKAGE; BOND CRITICAL POINT; BOND FORMATION; CHEMICAL BINDING; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGEN BOND; INTRINSIC REACTION COORDINATE; PRIORITY JOURNAL; PROTON TRANSPORT;

ALKENES; PROTONS; QUANTUM THEORY; ZEOLITES;

EID: 80255140541     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0933-z     Document Type: Article

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