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Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenbuconazole_CONF12_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50944103; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51097418; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51080294; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50812391; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51409757; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF28_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51329260; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF29_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51407648; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50773574; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF43_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51485535; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF44_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51245961; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF47_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51186371; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF58_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51212173; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF59_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51239662; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50980270; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF63_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51395430; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51081789; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF86_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.51300378; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53884343; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54021902; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.54295583; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 6872
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