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Collection's Items (Sorted by Submit Date in Descending order): 1821 to 1840 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54184349; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54295424; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54343189; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53889383; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54160196; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54055180; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53935007; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54017681; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54044868; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54325943; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54206824; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54020435; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54004514; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54025273; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54098457; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54181414; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54208844; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54308961; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53861441; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54082683; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1821 to 1840 of 6872
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