Comparison between optimized geometries and vibrational frequencies calculated by the DFT methods for the Anderson-type heteropolyanion: Hexamolybdoaluminate(III), [AlIII(OH)6Mo6O18]3-

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 4-5, 2007, Pages 1126-1132

  Alizadeh, M H ^a   Emampour, J S ^a   Salimi, A R ^a   Razavi, H ^b  

^a FERDOWSI UNIVERSITY OF MASHHAD   (Iran)

^b GEORGETOWN UNIVERSITY   (United States)

Author keywords

Anderson type; DFT methods; Geometry; Heteropolyanion; Hexamolybdoaluminate(III); Vibrational frequencies

Indexed keywords

ANDERSON-TYPE HETEROPOLYANION; DFT METHODS; HETEROPOLYANION; HEXAMOLYBDOALUMINATE(III); VIBRATIONAL FREQUENCIES;

CHEMICAL BONDS; ERROR ANALYSIS; GEOMETRY; INFRARED SPECTROSCOPY; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY;

MOLYBDENUM COMPOUNDS;

ALUMINUM DERIVATIVE; MOLYBDENUM; POLYANIONS; POLYMER; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY; VIBRATION;

ALUMINUM COMPOUNDS; MODELS, CHEMICAL; MOLYBDENUM; POLYMERS; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 33847322447     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.05.023     Document Type: Article

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