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Collection's Items (Sorted by Submit Date in Descending order): 1621 to 1640 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51153176; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51017183; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF91_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51039754; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF99_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51266408; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54049718; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54093190; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54072767; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54241976; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53901230; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54285366; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54293713; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54237591; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54334483; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54028757; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54314125; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54261391; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54258856; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54266212; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF129_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54245629; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53979826; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1621 to 1640 of 6872
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