Cagelike clusters as models for the isolated hydroxyls of silica: ab initio B3-LYP calculations of the interaction with ammonia

Langmuir

Volumn 15, Issue 18, 1999, Pages 5829-5835

  Civalleri, B ^a   Garrone, E ^a   Ugliengo, P ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; AMORPHOUS MATERIALS; CALCULATIONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SURFACE STRUCTURE;

AMORPHOUS SILICA; HYDROXYL;

SILICA;

EID: 0033171230     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la981300l     Document Type: Article

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