A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs

A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs

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A DFT study of hydrogen and methane activation by B.pdf(273.62 KB)

Date

2017

Authors

Villegas, Nery Andrés

Toro Labbé, Alejandro

Becerra, Marcos

Real Henríquez, Misael

Keywords

Frustrated Lewis pairs, Hydrogen activation, Many body decomposition analysis, Methane activation, Reaction force

URI

https://repositorio.uc.cl/handle/11534/23215
https://doi.org/10.1007/s00894-017-3404-y

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