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Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | flusilazole_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30200545; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30312547; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30240849; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30249299; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30279944; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30237775; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30221348; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30297211; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30091888; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30121160; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30151988; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30138262; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30290182; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30045376; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30146456; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30091001; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30334140; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30104164; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30293255; Eh | |||
 | 28-Mar-2025 | flusilazole_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1272.30106165; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 6872
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