Molecular recognition in cation-exchanged zeolites

International Journal of Quantum Chemistry

Volumn 110, Issue 1, 2010, Pages 210-220

  Pidko, Evgeny A ^a   Van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Adsorption; Chemical reactivity; DFT calculations; Molecular recognition; Zeolites

Indexed keywords

ADSORPTION MODES; CATION-EXCHANGED ZEOLITES; CLUSTER DENSITIES; DFT CALCULATION; DFT CALCULATIONS; DISPROPORTIONATIONS; ELECTROSTATIC FIELD; FAUJASITES; GEOMETRICAL PROPERTY; LEWIS ACIDITY; LIGHT ALKANES; MICROPOROUS MATRICES; NON-COVALENT INTERACTION; SILICA ZEOLITES; WEAK INTERACTIONS;

ADSORPTION; ALKALINITY; CALCIUM; DENSITY FUNCTIONAL THEORY; MOLECULAR BIOLOGY; MOLECULAR RECOGNITION; OLEFINS; PARAFFINS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SILICA; SILICATE MINERALS; SULFUR COMPOUNDS; ZEOLITES;

MOLECULAR OXYGEN;

EID: 73849134347     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22251     Document Type: Article

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