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Data set collection of computational results performed in the scientific article: Seeking the Optimal Descriptor for SN2 reactions through Statistical Analysis of Density Functional Theory (DFT) Results

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-215

This dataset derived results are published in:

Manuscript title: Seeking the Optimal Descriptor for SN2 reactions through Statistical Analysis of Density Functional Theory (DFT) Results

Journal: J. Org. Chem.

View as
    • ROOT
      • DCM
        • EG_LG_DCM
        • TS_DCM
        • adducts_DCM
          • add_ch3br
          • add_ch3c6h5
          • add_ch3cf3
          • add_ch3cl
          • add_ch3cn
          • add_ch3f
          • add_ch3i
          • add_ch3nch33
          • add_ch3nh2
          • add_ch3nhcho
          • add_ch3oTs
          • add_ch3och2ch3
          • add_ch3och3
          • add_ch3oh
          • add_ch3sch2ch3
          • add_ch3sch3
          • add_ch3sh
        • ch3-EG_LG_DCM
      • Water
        • EG_LG_water
        • TS_water
        • adducts_water
          • add_ch3br
          • add_ch3c6h5
          • add_ch3cf3
          • add_ch3cl
          • add_ch3cn
          • add_ch3f
          • add_ch3i
          • add_ch3nch33
          • add_ch3nh2
          • add_ch3nhcho
          • add_ch3oTs
          • add_ch3och2ch3
          • add_ch3och3
          • add_ch3oh
          • add_ch3sch3
          • add_ch3sh
          • add_sch2ch3
        • ch3-EG_LG_water
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