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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Oct-2017 | /1V/TS_CC TS_CC | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
23-Oct-2017 | /Subs_Diol/TS_CC TS_CC | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
20-Oct-2017 | /1V/TS-OV TS-OV | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Triplet TS_O2_Triplet | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
18-Oct-2017 | /2V/V_Oxidation/V2_O2/TS_O2_Singlet TS_O2_Singlet | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
6-Nov-2017 | /Subs_Diol/TS-OV TS-OV-2 | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | ||||
18-Oct-2017 | /2V/TS_CC_V2/Opt Opt | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - |
Results 1-7 of 7 (Search time: 0.002 seconds).