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Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54074870; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54067364; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54018017; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54169962; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54129311; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54159582; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54015728; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54192623; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54033867; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54291993; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54219314; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53653576; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53723225; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54018655; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53853565; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53868695; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53753017; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53732171; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54150727; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54100026; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1661 to 1680 of 6872
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