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Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RS_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30224751; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30226795; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30255160; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32724347; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32845452; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32518983; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32524082; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32882000; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32630021; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32851814; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32609889; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32571223; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32575781; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32564521; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32807138; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32597195; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32606460; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32612807; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32626121; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32605567; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 6276
