A solid-state density functional theory investigation of the structure and vibrational modes of vanadium phosphate polymorphs

Journal of Molecular Structure

Volumn 1003, Issue 1-3, 2011, Pages 21-30

  Pellizzeri, Steven ^a   Korter, Timothy M ^a   Zubieta, Jon ^a  

^a SYRACUSE UNIVERSITY   (United States)

Author keywords

Infrared spectroscopy; Polymorphs; Solid state DFT; Vanadium phosphate

Indexed keywords

BASIS SETS; BOND LENGTHS AND ANGLES; CRYSTAL PHASE; CRYSTALLINE POLYMORPHS; INORGANIC SOLIDS; MID-INFRARED SPECTRA; SOLID-STATE DENSITY; SOLID-STATE DFT; VANADIUM PHOSPHATE; VANADIUM PHOSPHATES; VIBRATIONAL MODES;

INFRARED SPECTROSCOPY; VANADIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

EID: 80052753998     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.06.047     Document Type: Article

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