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Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Fenpropathrin_CONF562_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68514102; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF564_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68485228; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF570_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68533839; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF571_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68020135; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF576_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68538496; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF579_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68325015; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68380378; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF582_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68542457; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF585_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68260431; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF588_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68288171; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF593_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68272508; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF598_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68553681; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF599_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68480087; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68038913; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF600_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68546970; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF601_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68289358; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF602_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68558946; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF603_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68480927; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF604_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68294144; Eh | |||
 | 24-Mar-2025 | Fenpropathrin_CONF608_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1132.68310772; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 6276
