Organocatalytic cyclopropanation of an enal: (computational) product stereochemical assignments.
DOI: 10.14469/hpc/4650 Metadata
Created: 2018-08-25 15:26
Last modified: 2018-08-29 07:54
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculations
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/4651 | OC: 4c FREQ def2-tzvpp -910.859820 |
| 10.14469/hpc/4655 | OC: 4d NMR(spinspin,mixed) def2-tzvpp |
| 10.14469/hpc/4653 | OC: 4b NMR(spinspin,mixed) def2-tzvpp |
| 10.14469/hpc/4656 | OC: 4a def2-tzvpp, aldehyde, conformer -910.860299 |
| 10.14469/hpc/4659 | OC: 4c NMR(spinspin,mixed) def2-tzvpp |
| 10.14469/hpc/4649 | OC: 4b freq(vcd) def2-tzvpp |
| 10.14469/hpc/4652 | OC: 4d FREQ(vcd) def2-tzvpp -910.855965 |
| 10.14469/hpc/4657 | OC: 4a def2-tzvpp, aldehyde, NO2 conformer -910.859908 |
| 10.14469/hpc/4662 | OC: 4a def2-tzvpp, NO2 conformer |
| 10.14469/hpc/4661 | OC: 4a def2-tzvpp, nmr(spinspin,mixed) aldehyde, NO2 conformer |
| 10.14469/hpc/4648 | OC: 4a freq(vcd) def2-tzvpp |
| 10.14469/hpc/4658 | OC: 4a def2-tzvpp, NO2 conformer -910.860816 |
| 10.14469/hpc/4660 | OC: 4a nmr(spinspin,mixed) def2-tzvpp, aldehyde, conformer -910.860299 |