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Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10809075; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98011507; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98096468; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98110061; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98027246; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98077311; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98208264; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98216669; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98215421; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97897876; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97876578; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97947354; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98255082; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97969903; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98064543; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97926581; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98376591; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98115851; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98351631; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98348571; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 6276
