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Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF361_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68524758; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68600573; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF372_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68492115; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68274634; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68012576; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68467574; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68659931; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68651026; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68223196; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68631046; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68648602; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68340071; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68618897; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68410948; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68639644; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68618962; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68281716; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68573376; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68273569; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68569968; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 7773
