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Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenarimol_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.24220037; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.24341766; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.24379555; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.24211438; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23841565; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23663983; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23690934; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23638362; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23452894; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23576213; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23831029; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23657164; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23741932; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23584443; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23682043; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23746031; Eh | |||
 | 28-Mar-2025 | fenarimol_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.23581645; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50984928; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50743309; Eh | |||
 | 28-Mar-2025 | fenbuconazole_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1413.50954423; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 6872
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