Pereira, JCG and Catlow, CRA and Price, GD (1998) Silica condensation reaction: an ab initio study. CHEM COMMUN (13) 1387 - 1388.
Full text not available from this repository.
Ab initio techniques are used to investigate the mechanisms and energetics of condensation of two Si(OH)(4) monomers in a simulated hydrated environment; the calculated activation energies accord well with those measured for silica condensation in sol-gel systems.
|Title:||Silica condensation reaction: an ab initio study|
|Keywords:||DENSITY-FUNCTIONAL CALCULATIONS, POLYMERIZATION, MOLECULES|
|UCL classification:||UCL > VP Research|
Archive Staff Only: edit this record