Structure-Property Relationships in the Nonlinear Optical Crystal KTiOPO4 Investigated Using NMR and ab Initio DFT Calculations

Journal of Physical Chemistry B

Volumn 108, Issue 14, 2004, Pages 4324-4331

  Thomas, P A ^a   Baldwin, A ^a   Dupree, R ^a   Blaha, P ^b   Schwarz, K ^b   Samoson, A ^c   Gan, Z H ^d  

^a UNIVERSITY OF WARWICK   (United Kingdom)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

^c National Institute for Chemical Physics and Biophysics   (Estonia)

^d FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHARGE TRANSFER; CHEMICAL BONDS; CRYSTAL STRUCTURE; ELECTRIC FIELD EFFECTS; MATHEMATICAL MODELS; NONLINEAR OPTICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POTASSIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; SYNTHESIS (CHEMICAL);

BOND POLARIZABILITY; DELOCALIZATION; NONLINEAR OPTICAL CRYSTALS; STRUCTURAL CHAINS;

OPTICAL MATERIALS;

EID: 2342433462     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037473n     Document Type: Article

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