Water mediated proton transfer in a mesostructured aluminosilicate framework: An ab initio molecular dynamics study

Journal of Physical Chemistry B

Volumn 109, Issue 46, 2005, Pages 21908-21914

  Li, Hong ^a   Mahanti, S D ^a   Pinnavaia, Thomas J ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINOSILICATE; PROTON TRANSFER; WATER MOLECULES;

ALUMINUM COMPOUNDS; COMPUTER SIMULATION; FOURIER TRANSFORMS; HYDROGEN BONDS; MOLECULAR DYNAMICS; TEMPERATURE DISTRIBUTION; WATER;

PROTONS;

ALUMINOSILICIC ACID; ALUMINUM SILICATE; NANOMATERIAL; PROTON; WATER;

ADSORPTION; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; REVIEW;

ADSORPTION; ALUMINUM SILICATES; COMPUTER SIMULATION; MODELS, CHEMICAL; NANOSTRUCTURES; PROTONS; QUANTUM THEORY; WATER;

EID: 28944454741     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054106y     Document Type: Review

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