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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
- DCM
Discover
Program name
- 1415 Gaussian
Calculation type