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Collection's Items (Sorted by Submit Date in Descending order): 1841 to 1860 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54182672; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54121130; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54189733; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54017196; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54391549; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54061553; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53885710; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54323288; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54307848; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54218097; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54177310; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54177445; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54211703; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54311253; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54227842; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53921454; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54189450; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54155825; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54320706; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54202554; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1841 to 1860 of 6872
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