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Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | mefentrifluconazole_CONF39_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51970498; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF41_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51973255; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF42_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51944744; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF45_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51890349; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF47_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51864365; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF52_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51759894; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF55_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51751031; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF63_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51947455; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF64_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51942199; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF70_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51953106; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF71_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.52143220; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF75_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.52134638; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF77_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51940085; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51924948; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF87_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.52149384; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51620556; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51933709; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF97_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1769.51931402; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54325145; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54504000; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 6872
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