DFT predictions of vibrational spectra of titanium tetramethoxide oligomers and the structure of titanium tetraalkoxides in liquid and solid phases

Vibrational Spectroscopy

Volumn 51, Issue 2, 2009, Pages 218-225

  Ignatyev, Igor S ^a   Montejo, Manuel ^b   López González, Juan Jesús ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF JAÉN   (Spain)

Author keywords

DFT calculations; Molecular structure; Titanium tetraalkoxides; Vibrational spectra

Indexed keywords

C-O STRETCHING REGION; COMMERCIAL POWDERS; COMMERCIAL SAMPLE; DFT CALCULATIONS; EDGE SHARING; ENERGY MINIMA; EQUILIBRIUM STRUCTURES; IR AND RAMAN SPECTRA; IR SPECTRUM; LINEAR ARRANGEMENTS; RAMAN SPECTRA; RAMAN SPECTRUM; SOLID PHASIS; TETRAMERIC STRUCTURES; TETRAMERS; TIO; TITANIUM ATOMS;

ISOMERS; OLIGOMERS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS; TITANIUM; VIBRATIONAL SPECTRA;

TITANIUM OXIDES;

EID: 70350564333     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2009.05.001     Document Type: Article

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