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Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54206075; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54351218; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54012833; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54087691; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54185036; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54270540; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54258510; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF155_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54261988; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54199710; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54190559; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54442706; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54429479; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54397970; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54417218; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF178_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53801540; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53935764; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53898520; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54099105; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54286553; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54304742; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 6872
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