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Collection's Items (Sorted by Submit Date in Descending order): 1861 to 1880 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54242651; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54252604; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54212986; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52970750; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52709477; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF100_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53089530; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF101_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52923849; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF105_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52970061; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52838057; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52880683; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52902710; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52924946; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52941679; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52558360; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF26_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52937717; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF27_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53033205; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF28_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53107737; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53117125; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52757386; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53022546; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1861 to 1880 of 6872
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