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. doi: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
Format: PDF Size: 766.4 KB Download
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