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Collection's Items (Sorted by Submit Date in Descending order): 1801 to 1820 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53971784; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54162679; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54019212; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53996696; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54390996; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54319574; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54382973; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54258617; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54045188; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54408582; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54437042; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54406192; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54089309; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54485662; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54113659; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53994513; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54046862; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54109550; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54011875; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54171379; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1801 to 1820 of 6872
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