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Evidence for Atomic Mixing via Multiple Intermediates during the Dynamic Interconversion of Silicate Oligomers in Solution

By Kim E. Jelfs, Edwin Flikkema and Stefan T. Bromley

Abstract

Sponsorship: Edwin Flikkema holds a RCUK fellowship.We investigate Si8- and Si16-based silicate species via global optimisation searches and ab initio calculations and propose a new multi-mechanism interpretation of the experimentally observed atomic mixing of silicate oligomers in solution.publishersversionPeer reviewe

Year: 2012
DOI identifier: 10.1039/C1CC14674B
OAI identifier: oai:cadair.aber.ac.uk:2160/10945
Journal:

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Citations

  1. GAMESS-UK is a package of ab initio programs.
  2. (2004). Microporous Mesoporous Mater.,

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