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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_5_TS56 SP_TS56i_M06_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_5 Freq_step5i_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_0 Freq_step0_M02_S12g | Angelone, Davide | ADF; 2013; 01 | Single point Minimum | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_2 SP_step2_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_2_TS23 Freq_TS23_M06_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | |||
 | 31-Jan-2019 | /OPBE tz2p_Fe_IInc2co_1 | Swart, Marcel | ADF; 2009; 01 | Single point | DFT | TZ2P | -53.47644936; eV | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_1 Freq_step1_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_5 SP_step5e_M02_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - | |||
 | 31-Jan-2019 | /OPBE tz2p_Fe_IInc2co_3 | Swart, Marcel | ADF; 2009; 01 | Single point | DFT | TZ2P | -54.97480634; eV |
Results 11-20 of 286 (Search time: 0.001 seconds).