ImineCondensation

Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.

Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-154

This dataset derived results are published in:

Manuscript title: The Challenge of Reproducing with Calculations Raw Experimental Kinetic Data for an Organic Reaction

Journal: Org. Lett.

PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Minima BenzaldehydePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-345.719632320; Eh
thumbnail.jpeg/PaperStructures/Minima NButylaminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-213.904198497; Eh
thumbnail.jpeg/PaperStructures/Minima WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-76.4666514750; Eh
thumbnail.jpeg/PaperStructures/Minima HemiaminalPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-559.630034705; Eh
thumbnail.jpeg/PaperStructures/Minima IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-483.158752526; Eh
thumbnail.jpeg/PaperStructures/Adducts W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-152.942640477; Eh
thumbnail.jpeg/PaperStructures/Adducts A_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-422.195334037; Eh
thumbnail.jpeg/PaperStructures/Adducts N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-290.385672764; Eh
thumbnail.jpeg/PaperStructures/Adducts N_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-427.816638070; Eh
thumbnail.jpeg/PaperStructures/Adducts A_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-559.632335083; Eh
thumbnail.jpeg/PaperStructures/Adducts W_W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-229.424938835; Eh
thumbnail.jpeg/PaperStructures/Adducts A_W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-498.672725819; Eh
thumbnail.jpeg/PaperStructures/Adducts N_W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-366.866983514; Eh
thumbnail.jpeg/PaperStructures/Adducts N_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-504.298154258; Eh
thumbnail.jpeg/PaperStructures/Adducts A_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-636.108992967; Eh
thumbnail.jpeg/PaperStructures/Adducts A_N_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.545187223; Eh
thumbnail.jpeg/PaperStructures/Adducts A_N_W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-712.593621195; Eh
thumbnail.jpeg/PaperStructures/Adducts A_N_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-850.030454675; Eh
thumbnail.jpeg/PaperStructures/Adducts Int_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-636.113822802; Eh
thumbnail.jpeg/PaperStructures/Adducts Int_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.548127632; Eh
Collection's Items (Sorted by in order): 1 to 20 of 294
RSS Feed RSS Feed RSS Feed