The geometric structure and electronic properties of Fe3O 3+ clusters

Physica B: Condensed Matter

Volumn 406, Issue 2, 2011, Pages 200-204

  Xu, Ben Fu ^a   Yang, Chuan Lu ^a   Wang, Mei Shan ^a   Ma, Xiao Guang ^a  

^a LUDONG UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic properties; Fe3O3+ clusters; Isomers

Indexed keywords

BASIS SETS; FE3O3+ CLUSTERS; FREQUENCY ANALYSIS; GEOMETRIC STRUCTURE; HIGHEST OCCUPIED MOLECULAR ORBITAL; INITIAL STRUCTURES; LOWEST UNOCCUPIED MOLECULAR ORBITAL; OPTIMIZATION CALCULATION; OPTIMIZED STRUCTURES; STABLE ISOMERS;

BINDING ENERGY; ELECTRONIC PROPERTIES; ISOMERS; MAGNETIC MOMENTS; MOLECULAR MODELING; MOLECULAR ORBITALS; OPTIMIZATION; STRUCTURAL PROPERTIES; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 78649524749     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.10.042     Document Type: Article

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