Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity

Tatyana E. Shubina, Matthias Freund, Sebastian Schenker, Timothy Clark and Svetlana B. Tsogoeva
Beilstein J. Org. Chem. 2012, 8, 1485–1498. https://doi.org/10.3762/bjoc.8.168

Supporting Information

The Supporting Information File features data from DFT computations (computed absolute energies (Hartree) and zero-point vibrational energies (ZPVE, kcal·mol−1) at different levels of theory) as well as the respective GAUSSIAN archive entries.

Supporting Information File 1: Detailed information about the DFT calculations
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Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity
Tatyana E. Shubina, Matthias Freund, Sebastian Schenker, Timothy Clark and Svetlana B. Tsogoeva
Beilstein J. Org. Chem. 2012, 8, 1485–1498. https://doi.org/10.3762/bjoc.8.168

How to Cite

Shubina, T. E.; Freund, M.; Schenker, S.; Clark, T.; Tsogoeva, S. B. Beilstein J. Org. Chem. 2012, 8, 1485–1498. doi:10.3762/bjoc.8.168

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