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Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | flusilazole_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30201906; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30195906; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30318799; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29111604; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29102481; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29365706; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29251505; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29277138; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29314710; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29268173; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29142521; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF26_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29215186; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29073500; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29082678; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF34_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29164839; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF38_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29244907; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29283825; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF40_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29185206; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF42_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29169063; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF45_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.29162314; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 6872
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