29Si solid state NMR of hydroxyl groups in silica from first principle calculations

Materials Science and Engineering B: Solid-State Materials for Advanced Technology

Volumn 68, Issue 1, 1999, Pages 16-21

  Casanovas, Jordi ^a   Pacchioni, Gianfranco ^b   Illas, Francesc ^c  

^a Esc Univ Politecnica Univ L   (Spain)

^b Istituto Nazionale per la Fisica della Materia Milan   (Italy)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; CRYSTALLINE MATERIALS; MAGNETIC SHIELDING; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUARTZ;

DENSITY FUNCTIONAL THEORY (DFT); HARTREE-FOCK (HF) METHOD;

SILICA;

EID: 0033284628     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0921-5107(99)00337-2     Document Type: Article

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