Derivation of an interatomic potential for fluoride-containing microporous silicates and germanates

Chemistry of Materials

Volumn 17, Issue 4, 2005, Pages 730-740

  Sastre, German ^a   Gale, Julian D ^b  

^a UNIVERSITAT POLITÈCNICA DE VALÈNCIA   (Spain)

^b CURTIN UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CHEMICAL BONDS; GERMANIUM; SINGLE CRYSTALS; SYNTHESIS (CHEMICAL); X RAY DIFFRACTION ANALYSIS; ZEOLITES;

FLUORIDE ANIONS; INTERATOMIC POTENTIALS; SILICOALUMINOGERMANATE;

POROUS SILICON;

ALUMINOGERMANATE; FLUORIDE; FLUORIDE ION; FLUORINE; GERMANIUM DERIVATIVE; SILICATE; SILICOALUMINOGERMANATE; SILICON; UNCLASSIFIED DRUG; ZEOLITE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL BOND; DERIVATIZATION; FORCE; MODEL; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POROSITY; PREDICTION; REACTION ANALYSIS; SIMULATION; SYNTHESIS; X RAY DIFFRACTION;

EID: 13844314492     PISSN: 08974756     EISSN: None     Source Type: Journal    
DOI: 10.1021/cm048406o     Document Type: Article

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