Density functional theory and Hartree-Fock studies: Geometry, vibrational frequencies and electronic properties of Anderson-type heteropolyanion, [XM6O24]n- (X = TeVI, IVII and M = Mo, W) and [SbVW6O24]7-

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 65, Issue 5, 2006, Pages 1104-1111

  Alizadeh, M H ^a   Salimi, A R ^a  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

Author keywords

Anderson type; DFT; Electronic properties; Heteropolyoxometalate; Vibrational frequencies

Indexed keywords

ELECTRONIC PROPERTIES; MOLECULAR STRUCTURE; NEGATIVE IONS; OXIDATION; PROBABILITY DENSITY FUNCTION;

ANDERSON-TYPE HETEROPOLYANIONS; GEOMETRY PARAMETERS; HETEROPOLYOXOMETALATE; VIBRATIONAL FREQUENCIES;

MOLECULAR VIBRATIONS;

ANTIMONY; IODINE; MOLYBDENUM; OXYGEN DERIVATIVE; POLYANIONS; POLYMER; TELLURIUM; TUNGSTEN; TUNGSTEN DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; SPECTROSCOPY; VIBRATION;

ANTIMONY; COMPUTER SIMULATION; IODINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLYBDENUM; OXYGEN COMPOUNDS; POLYMERS; SPECTRUM ANALYSIS; TELLURIUM; TUNGSTEN; TUNGSTEN COMPOUNDS; VIBRATION;

EID: 33750699610     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.02.011     Document Type: Article

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