Computational modeling of octahedral iron oxide clusters: Hexaaquairon(III) and its dimers

Journal of Physical Chemistry C

Volumn 117, Issue 42, 2013, Pages 21706-21717

  Yang, Yang ^a   Ratner, Mark A ^a   Schatz, George C ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY ALLOYS; CHARGE TRANSFER; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DIMERS; EXCITATION ENERGY; EXCITED STATES; IRON ALLOYS; MINERALS; MONOMERS; OPTICAL PROPERTIES; PETROLEUM RESERVOIR EVALUATION; QUANTUM CHEMISTRY; SPIN DYNAMICS;

DENSITY FUNCTIONAL THEORY METHODS; DIMERIZATION REACTIONS; ELECTROSTATIC REPULSION; FERROMAGNETIC AND ANTI-FERROMAGNETIC; HYDROXO-BRIDGED DIMERS; LIGAND-TO-METAL CHARGE TRANSFERS; NON-RADIATIVE RELAXATION; STRUCTURAL AND OPTICAL PROPERTIES;

IRON OXIDES;

EID: 84886694204     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp408066h     Document Type: Article

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