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Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66130818; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66077222; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66224038; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66218440; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66224247; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66231319; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66208165; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66133512; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65626755; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66213417; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66094001; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF97_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65592510; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65940330; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68300948; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68330973; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67978456; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68648377; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68670255; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68639976; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68314288; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 7773
