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Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | mefentrifluconazole_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54582348; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54815506; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54806665; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54835972; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54340485; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54827407; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54801640; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54743056; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54721885; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54359424; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54626366; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54597391; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54796560; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54802765; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54397902; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54409701; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54853139; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54753685; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54503733; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.54753972; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 6872
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