Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Jul-2017 | /L-N2Me2/STEP_5_TS56 Freq_TS56e_M04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2Me2/STEP_5 Freq_step5e_M04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_5_TS56 Freq_TS56i_H06_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_5_TS56 Freq_TS56i_H04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_5_TS56 Freq_TS56i_H02_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_5 Freq_step5i_H06_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_2_TS23 Freq_TS23_H06_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_4_TS45 Freq_TS45i_H02_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_5 Freq_step5i_H04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_4_TS45 Freq_TS45i_H04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - |
Results 1-10 of 14 (Search time: 0.001 seconds).
Discover
Subject
- 14 Biomimetic
- 14 Caechol
- 14 Cathecholase
Method
- 14 DFT