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Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Cyphenothrin_RR_CONF973_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10261299; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF979_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10349863; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF982_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10370855; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.10693878; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09020674; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09069687; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09266379; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09359925; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09392278; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09305810; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09338839; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF111_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09382883; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09263209; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09273941; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09267519; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09353920; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09360822; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF118_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09229725; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF119_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09260412; Eh | |||
 | 24-Mar-2025 | Cyphenothrin_RR_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1210.09309365; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 6276
