Parallel optimization of a reactive force field for polycondensation of alkoxysilanes

Journal of Physical Chemistry B

Volumn 118, Issue 37, 2014, Pages 10966-10978

  Deetz, Joshua D ^a   Faller, Roland ^a  

^a Davis   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CONDENSATION; GELATION; HYDROLYSIS; ITERATIVE METHODS; OPTIMIZATION; PARAMETER ESTIMATION; SILANES; SILICA;

EVALUATION OF PARAMETERS; FORCE FIELD PARAMETERS; HYDROLYSIS AND CONDENSATION; LOCAL SEARCH ALGORITHM; PARALLEL OPTIMIZATION; PRECURSOR SOLUTIONS; REACTIVE FORCE FIELD; TETRAMETHOXYSILANE;

CONDENSATION REACTIONS;

EID: 84926430152     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp504138r     Document Type: Article

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