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Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RS_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32606518; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32371771; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32862877; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32728975; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32726094; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32691867; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32711944; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32692469; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32797288; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32869032; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32918082; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31726934; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31787861; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF106_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31530203; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31541742; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31809666; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31788793; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31818114; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31814942; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.31814870; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 6276
