Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP01852H, Paper
DOI: 10.1039/C5CP01852H, Paper
Luigi Cigarini, Davide Vanossi, Federica Bondioli, Claudio Fontanesi
The dynamics of the early stage reaction between benzyl alcohol and Fe(acetylacetonate)3 is studied by exploiting the Dynamic Reaction Coordinate (DRC) approach, at the PBE0/6-31G* level of theory.
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The dynamics of the early stage reaction between benzyl alcohol and Fe(acetylacetonate)3 is studied by exploiting the Dynamic Reaction Coordinate (DRC) approach, at the PBE0/6-31G* level of theory.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry