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Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67216081; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF171_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67405020; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF174_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67176665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66843071; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF180_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67394294; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF187_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67149966; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF188_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67057108; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67269477; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF191_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67178334; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67170174; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67395511; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF196_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67276690; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67071030; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF199_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66844334; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66880480; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67199439; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67053799; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF202_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67298900; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66997641; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67073314; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 7773
