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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-1-53
This dataset derived results are published in:
Manuscript title: Efficient Vanadium-Catalyzed Aerobic CC Bond OxidativeCleavage of Vicinal Diols
Journal: Adv. Synth. Catal.
View as
- ROOT
- 1V
- Alkoxide
- Hydrogen_Bond
- Chelate
- ICs
- Ensemble_V2
- IC
- IC_HLigand
- IC_HOax
- TS-OV
- Freq
- TS_CC
- Freq
- V_BP_H2O
- V_III
- V_OH_BP
- V_Product
- V_Product_OH
- Alkoxide
- 2V
- Dimer
- TS_CC_V2
- Opt
- Freq
- Opt
- V2_Diol
- Isom
- SP
- Scan
- Zoom
- Scan_Tertiary_FAIL
- V2_Diol2
- V2_OH_Ens
- Freq
- V2_Product
- V_Oxidation
- V2_O2
- TS_O2_Singlet
- Freq
- TS_O2_Triplet
- Freq
- V2_O2
- Freq
- V2_O2_0_2
- Freq
- SP
- V2_O2_OH_Trip
- TS_O2_Singlet
- V2_O2_OH
- Freq
- V_O2_H2O
- V_O2_H2O_0_0
- V_O2_H2O_0_2
- V_O2_H2O_1_1
- V2_O2
- No_Solvent
- Alk_Isom
- Chelate_Diol
- IC
- IC_HLigand
- IC_HOax
- Product
- Reactants
- Diol
- H2O
- O2
- V_BP
- TS_CC
- TS_V2_O2
- V2_O2
- V_Product
- Product
- Radical
- Rad1
- Rad2
- Closed_Shell
- Freq
- Unrestricted
- SP
- Tertiary
- Closed_Shell
- Rad3
- Reactants
- Diol
- H2O
- H3O
- O2
- V_BP
- V_Oh
- V_TP
- Solvent_Toluene
- Alk_Isom
- Chelate_Diol
- IC
- IC_HLigand
- IC_HOax
- Product
- Reactants
- Diol
- H2O
- O2
- V_BP
- TS_CC
- TS_V2_O2
- V2_O2
- V_Product
- Subs_Diol
- Chelate_Diol_Freq
- Diol
- Guess_TS
- IC
- Product
- Scan
- TS-OV
- TS_CC
- Freq
- V_Product
- 1V