Showing results 125 to 144 of 171
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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_4 SP_step4_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4 SP_step4_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4 SP_step4_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45e_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45e_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45e_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45i_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45i_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 Freq_TS45i_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | 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_4_TS45 SP_TS45e_M04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 SP_TS45e_M06_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 SP_TS45i_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_4_TS45 SP_TS45i_M04_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 Freq_step5e_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | 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-N2Me2/STEP_5 Freq_step5e_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_5 Freq_step5i_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |
| 22-Jul-2017 | /L-N2Me2/STEP_5 Freq_step5i_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | | | |