The effect of the primary solvate shell on the mechanism of the Stöber silica synthesis. A density functional investigation

Journal of Physical Chemistry A

Volumn 113, Issue 6, 2009, Pages 1096-1104

  Terleczky, Péter ^a   Nyulászi, László ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ETHERS; HYDROGEN; HYDROGEN BONDS; ORGANIC COMPOUNDS; SILANES; SILICA; SILICON; SOLVENTS;

A DENSITIES; ALKOXYSILANE; AQUEOUS MEDIAS; BOND CLEAVAGES; COMPUTATIONAL METHODOLOGIES; COMPUTATIONAL STUDIES; DI-METHYL ETHERS; EFFECT OF WATERS; INTERACTION ENERGIES; METHOXYSILANE; MOLECULAR CLUSTERS; NEUTRAL MOLECULES; PROTONATED; REACTION ENERGIES; REACTION PATHS; REACTION THERMODYNAMICS; SILICA SYNTHESIS; SOLUTION EFFECTS; SOLVENT INTERACTIONS; WATER CLUSTERS; WATER MOLECULES;

MOLECULES;

EID: 61649105593     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8067206     Document Type: Article

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