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Collection's Items (Sorted by Submit Date in Descending order): 1401 to 1420 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flumethrin_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01562753; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01567049; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01022823; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01013963; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01276833; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01302225; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01067926; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99703415; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99527368; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99540339; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99409149; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99379648; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99515733; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99732554; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99862453; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99870053; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99397628; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99890736; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99340531; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2380.99344558; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1401 to 1420 of 6276
