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Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68683497; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68687335; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68235393; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF151_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68671926; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68654538; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68602448; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68677768; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF156_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68659440; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68642275; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68332877; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF159_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68333069; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68431139; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68653152; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68353750; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68350125; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68359862; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68256394; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68345856; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68420831; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68352544; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 7773
