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Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RS_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32632380; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32666736; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32658421; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32661115; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32854325; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32809383; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32815142; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32865306; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32751095; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32818867; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32868031; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32865152; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32673805; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32820397; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32442972; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32651740; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32622152; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32651622; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32619313; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1285.32626526; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 6276
