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Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenbuconazole_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54025016; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54370077; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.52954413; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53151337; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF107_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53406758; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53034203; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53029546; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53090035; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF132_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53253384; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53132597; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53179743; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53158774; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53000024; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53408387; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53023023; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53447279; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.52926162; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF32_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.52984960; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53188404; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF43_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53501190; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 6872
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