The variety of carbon-metal bonds inside Cu+-ZSM-5 zeolites: A density functional theory study

Materials

Volumn 3, Issue 4, 2010, Pages 2516-2535

  Yumura, Takashi ^a   Hasegawa, Saki ^c   Itadani, Atsushi ^b   Kobayashi, Hisayoshi ^a   Kuroda, Yasushige ^b  

^a KYOTO INSTITUTE OF TECHNOLOGY   (Japan)

^b OKAYAMA UNIVERSITY   (Japan)

^c NONE

Author keywords

Copper; Density functional theory calculation; Molecular symmetry; Orbital interactions; The restricted environment of a zeolite host; Vibration

Indexed keywords

COPPER COORDINATION; DENSITY FUNCTIONAL THEORY STUDIES; MOLECULAR SYMMETRY; ORBITAL INTERACTION; STABILIZATION ENERGY; THE RESTRICTED ENVIRONMENT OF A ZEOLITE HOST; UNSATURATED HYDROCARBONS; VIBRATION;

CARBON; DENSITY FUNCTIONAL THEORY; HYDROCARBONS; POSITIVE IONS; STABILIZATION;

COPPER;

EID: 77953339215     PISSN: None     EISSN: 19961944     Source Type: Journal    
DOI: 10.3390/ma3042516     Document Type: Article

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