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Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68435195; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF732_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68103016; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF734_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68095074; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF735_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68093351; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF736_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68087444; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF738_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68087630; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF748_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68243323; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68432188; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68446170; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68361833; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68444394; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF825_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68050072; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF827_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68087163; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF835_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68053148; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68439658; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68365486; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68307581; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF916_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68017127; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF920_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68007029; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68339629; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 6276
