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Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RR_CONF814_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09298637; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF831_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09277556; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09212670; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.08948387; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF854_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09285044; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.08924654; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09213436; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09193316; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09080549; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.08903859; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09196902; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF94_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09197021; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF953_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09207562; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF973_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09068391; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF982_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09082480; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30086033; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30273058; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30213673; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30217015; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RS_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1285.30259141; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 6276
