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Collection's Items (Sorted by Submit Date in Descending order): 2301 to 2320 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | mefentrifluconazole_CONF211_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53513737; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF212_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53521572; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53554726; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53565528; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53573479; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53833114; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53824937; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF38_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53838209; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53844295; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53395789; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF41_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53843276; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF42_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53800697; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF45_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53737598; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF47_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53780664; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53407018; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF52_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53677579; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF63_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53838596; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF64_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53811739; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53412482; Eh | |||
 | 28-Mar-2025 | mefentrifluconazole_CONF70_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1769.53856080; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2301 to 2320 of 6872
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