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Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65951906; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66115626; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF118_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66220287; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF119_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66012452; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65804117; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF120_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66084254; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF122_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66020684; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF128_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66195946; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65791901; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF130_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66107399; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66101631; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66122728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66142037; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66154338; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66164982; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF142_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66115171; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF144_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66180560; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF145_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66092627; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF146_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65884078; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65844576; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 7773
