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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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