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Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66039448; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF255_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65653258; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66035326; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66065186; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF289_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66050621; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF291_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66021455; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF293_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65978109; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65641898; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66139045; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF301_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66017235; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF305_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66021535; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF307_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65915060; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66127313; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF311_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66034997; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF316_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65957466; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF317_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65970238; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF320_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66033606; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF325_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65846613; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF327_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65994324; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF328_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65961571; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 381 to 400 of 7773
