Na_mediated_ferration

CC-BY-4.0

The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-91

This dataset derived results are published in:

Manuscript title: Facilitating Ferration of Aromatic Substrates Through Intramolecular Sodium Mediation

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/ange.202104275

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegNa2-RMu, MantingGaussian; 09; ES64L-G09RevE.01RwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2686.37109068; Eh
thumbnail.jpegNa2-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01RwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59733711; Eh
thumbnail.jpegNa2-TSMu, MantingGaussian; 09; ES64L-G09RevE.01RwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.57637927; Eh
thumbnail.jpegNa2-I2Mu, MantingGaussian; 09; ES64L-G09RevE.01RwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3414.59398721; Eh
thumbnail.jpegNa2-PMu, MantingGaussian; 09; ES64L-G09RevE.01RwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2540.71005946; Eh
thumbnail.jpegFe2-RMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3739.98626521; Eh
thumbnail.jpegFe2-TSMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-4468.14096521; Eh
thumbnail.jpegFe2-PMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3594.32416566; Eh
thumbnail.jpegFe-RMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1869.96176560; Eh
thumbnail.jpegFe-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2598.18280926; Eh
thumbnail.jpegFe-TSMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2598.15008518; Eh
thumbnail.jpegFe-I2Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2598.19617098; Eh
thumbnail.jpegFe-PMu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1724.29439345; Eh
thumbnail.jpegNaFe-no-Donor_TS1Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76167249; Eh
thumbnail.jpegNaFe-no-Donor_TS2Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76086782; Eh
thumbnail.jpegNaFe-no-Donor_TS3Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76517866; Eh
thumbnail.jpegNaFe-no-Donor_TS4Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76390579; Eh
thumbnail.jpegNaFe-no-Donor_TS5Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76388671; Eh
thumbnail.jpegNaFe-no-Donor_TS6Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76606670; Eh
thumbnail.jpegNaFe-no-Donor_TS7Mu, MantingGaussian; 09; ES64L-G09RevE.01UwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-3633.76113362; Eh
Collection's Items (Sorted by in order): 1 to 20 of 117
RSS Feed RSS Feed RSS Feed