Showing results 105 to 124 of 171
< previous
next >
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 Freq_TS23_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_2_TS23 Freq_TS23_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_2_TS23 SP_TS23_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_2_TS23 SP_TS23_M04_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 | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 Freq_step3_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 Freq_step3_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 Freq_step3_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 SP_step3_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 SP_step3_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3 SP_step3_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 Freq_TS34_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 Freq_TS34_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 Freq_TS34_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 SP_TS34_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 SP_TS34_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_3_TS34 SP_TS34_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4 Freq_step4_M02_S12g | Angelone, Davide | ADF; 2014 | Single point Minimum | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4 Freq_step4_M04_S12g | Angelone, Davide | ADF; 2014 | Single point Minimum | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4 Freq_step4_M06_S12g | Angelone, Davide | - | Single point TS | DFT | TZ2P | - | | | |