Structure and vibrational spectra of Ti(IV) hydroxides and their clusters with expanded titanium coordination. DFT study

Journal of Physical Chemistry A

Volumn 111, Issue 32, 2007, Pages 7973-7979

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

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF JAÉN   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR STRUCTURE; OPTIMIZATION; POTENTIAL ENERGY; VIBRATIONAL SPECTRA;

CLUSTER CALCULATIONS; EQUILIBRIUM STRUCTURES; SYMMETRY ELEMENTS; TRIMERS;

TITANIUM COMPOUNDS;

EID: 34548180817     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp073423x     Document Type: Article

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