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Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF251_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67043397; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF252_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67035659; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67219920; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67145640; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67304291; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF269_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67295875; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF270_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67354163; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF271_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67301574; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF276_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67041799; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67316254; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF280_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67054309; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67151226; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF283_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67299935; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF288_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67298066; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67315456; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF292_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67290099; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67222534; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67217763; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF301_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67056767; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF308_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66959457; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 7773
