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Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenbuconazole_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53930577; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54101279; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54128488; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54384835; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54456933; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54265549; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54037700; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54523982; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54270571; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54267253; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54470712; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53983145; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54261661; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54188899; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54207245; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53978336; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54240519; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54030693; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54306397; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54319375; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 6872
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