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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Jul-2017 | /L-N2Me2/STEP_2_TS23 SP_TS23_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
18-Nov-2019 | Ti_d5d_EDA | Vlahovic, Filip | ADF; 2013; 01 | Single point | DFT | - | - | ||||
22-Jul-2017 | SP_intradiol-product_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_4_TS45 SP_TS45e_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_5 SP_step5i_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_4 SP_step4_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_4_TS45 SP_TS45i_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_5 SP_step5e_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_5 SP_step5e_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_2_TS23 SP_TS23_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - |
Results 11-20 of 117 (Search time: 0.001 seconds).
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Subject
- 86 Biomimetic
- 86 Caechol
- 86 Cathecholase
- 86 DFT
- 86 oxidation
Method
- 117 DFT