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Collection's Items (Sorted by Submit Date in Descending order): 1781 to 1800 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_trans_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51027963; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF70_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51251827; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF71_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51260141; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF72_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51082066; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF73_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51256729; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF76_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51204677; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF77_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51172827; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF78_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51113216; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51140266; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF80_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51174366; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF85_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51271171; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF86_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51263091; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF88_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51237093; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF89_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51200515; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51264245; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF93_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51238639; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF94_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51221474; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF96_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51236515; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF97_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51181018; Eh | |||
 | 28-Mar-2025 | imibenconazole_trans_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54080312; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1781 to 1800 of 6872
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