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Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenbuconazole_CONF47_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53555923; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53003875; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53241972; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53047901; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF67_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53115727; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53025155; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF74_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53260373; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53082118; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF83_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53400603; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF86_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53311025; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53168064; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF95_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1413.53409721; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.46274651; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.45696751; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.45691788; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.46064006; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.46117755; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1669.45999215; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48120433; Eh | |||
 | 28-Mar-2025 | fenhexamid_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1669.48112692; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 6872
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