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ChemPhysChem

Volumn 15, Issue 5, 2014, Pages 905-911

Ab initio study of the adsorption of CO2 on functionalized benzenes

(3) Frysali, Maria G a Klontzas, Emmanuel a Froudakis, George E a

a UNIVERSITY OF CRETE (Greece)

Author keywords

ab initio calculations; donor acceptor systems; metal organic frameworks; weak interactions

Indexed keywords

BENZENE; BINDING ENERGY; CALCULATIONS; MOLECULES; ORGANOMETALLICS; QUANTUM THEORY;

AB INITIO CALCULATIONS; DONOR-ACCEPTOR SYSTEM; ELECTROSTATIC POTENTIAL MAPS; EXTRAPOLATION SCHEMES; INITIAL CONFIGURATION; METAL ORGANIC FRAMEWORK; QUANTUM MECHANICAL METHOD; WEAK INTERACTIONS;

CARBON DIOXIDE;

EID: 84894228891 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201300952 Document Type: Article

Times cited : (16)

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