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Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68328229; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF306_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68273437; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF310_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68419882; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF320_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68521384; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF334_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68384464; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68413833; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF344_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68429400; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF349_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68273268; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF355_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68452712; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68363027; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF359_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68533724; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68412308; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF364_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68343306; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF382_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68416928; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF383_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68396921; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF389_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68410639; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF398_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68372152; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF399_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68280753; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68363434; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF432_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68448879; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 6276
