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Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenvalerate_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65620282; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65694096; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65686870; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65699008; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65601222; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65593425; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65718273; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF162_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65699616; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65879837; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65423663; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65619605; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65814491; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65768687; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65720092; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65743517; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF199_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65900795; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65644466; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65911557; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF209_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65693150; Eh | |||
 | 24-Mar-2025 | Fenvalerate_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1706.65637054; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 6276
