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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Oct-2017 | /Solvent_Toluene/Alk_Isom Alk_Isom | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Solvent_Toluene/Product Product | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Solvent_Toluene/IC_HLigand IC_HLigand | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Solvent_Toluene/V2_O2 V2_O2 | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Solvent_Toluene/IC_HOax IC_HOax | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /Solvent_Toluene/IC IC | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 20-Oct-2017 | /1V/TS-OV/Freq Freq-TS | González Fabra, Joan | ADF; 2016 | Single point TS | DFT | TZ2P | - | |||
 | 20-Oct-2017 | /1V/TS-OV TS-OV | González Fabra, Joan | ADF; 2016 | TS | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /2V/V2_Product V2_Product | González Fabra, Joan | ADF; 2016 | Geometry optimization TS | DFT | TZ2P | - | |||
 | 18-Oct-2017 | /2V/V2_Diol/Scan/Zoom Zoom | González Fabra, Joan | ADF; 2016 | Single point | DFT | TZP | - |
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