A density functional theory study of catalytic trans-esterification by tert-butoxide MgAl anionic clays (2003)
Journal Article
Greenwell, H., Stackhouse, S., Coveney, P., & Jones, W. (2003). A density functional theory study of catalytic trans-esterification by tert-butoxide MgAl anionic clays. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 107(15), 3476-3485. https://doi.org/10.1021/jp027663i

We use ab initio plane-wave density functional theory (PW-DFT) to investigate, for the first time, prospective solid base catalytic pathways within anionic clays. MgAl-layered double hydroxides (LDHs) intercalated with tert-butoxide anions are known... Read More about A density functional theory study of catalytic trans-esterification by tert-butoxide MgAl anionic clays.