Enhanced reactivity of carbonyl compounds on MgO surface: A computational study

Journal of Molecular Catalysis A: Chemical

Volumn 342-343, Issue , 2011, Pages 67-73

  Petrova, Galina P ^a   Vayssilov, Georgi N ^a   Galabov, Boris ^a  

^a UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

Adsorption; Carbonyl compounds; Catalysis; Electrophilicity; Electrostatic potential at nuclei; Natural orbitals

Indexed keywords

ADSORBED MOLECULES; CARBON ATOMS; CARBONYL DERIVATIVES; CARBONYL MOLECULES; COMPUTATIONAL STUDIES; DENSITY FUNCTIONALS; ELECTRON DENSITIES; ELECTROPHILICITY; ELECTROSTATIC FIELD; ELECTROSTATIC POTENTIAL AT NUCLEI; ENHANCED REACTIVITY; MGO SURFACES; NATURAL ORBITALS; NUCLEOPHILIC ADDITIONS; REACTIVITY DESCRIPTORS; SUBSTITUENT EFFECT; SURFACE-BASED;

ADDITION REACTIONS; ADSORPTION; CARBONYLATION; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; POLARIZATION;

CARBONYL COMPOUNDS;

EID: 79958016509     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2011.04.013     Document Type: Article

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