The first 3D malonate bridged copper [Cu(O 2CCH 2CO 2H) 2·2H 2O]: Structure, properties and electronic structure

Journal of Solid State Chemistry

Volumn 187, Issue , 2012, Pages 7-14

  Seguatni, A ^a   Fakhfakh, M ^b,c   Smiri, L S ^b   Gressier, P ^d   Boucher, F ^d   Jouini, N ^c  

^a UNIVERSITÉ PARIS 13   (France)

^b Struggle and Prevention   (Tunisia)

^c UNIVERSITÉ DU QUÉBEC À MONTRÉAL   (Canada)

^d UNIVERSITÉ DE NANTES   (France)

Author keywords

Copper; DFT calculation; GGAU; Hybrid material; Magnetism; Structure

Indexed keywords

DFT CALCULATION; DIELECTRIC FORMALISM; FERRO-MAGNETIC INTERACTIONS; GGAU; HYDROTHERMALLY SYNTHESIZED; INORGANIC-ORGANIC COMPOUND; JAHN TELLER EFFECT; MALONATES; OPTICAL SPECTRA; SINGLE CRYSTAL X-RAY DIFFRACTION; STRUCTURAL FEATURE; STRUCTURE , PROPERTIES; TEMPERATURE RANGE; THREE-DIMENSIONAL COMPOUNDS;

COPPER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; HYBRID MATERIALS; MAGNETIC SUSCEPTIBILITY; MAGNETISM; STRUCTURAL OPTIMIZATION; STRUCTURE (COMPOSITION); THERMOANALYSIS; THREE DIMENSIONAL; X RAY DIFFRACTION;

CARBON DIOXIDE;

EID: 84857237363     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2011.11.044     Document Type: Article

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