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Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imibenconazole_cis_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53631217; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53990210; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54120197; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54104320; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54233789; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53913889; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54029346; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54323698; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.54292307; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52989233; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52982462; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF100_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52866161; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF107_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52950406; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF108_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53042620; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF110_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53066192; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF113_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53101874; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52748183; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF120_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.53098587; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF126_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52999918; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2653.52784510; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1681 to 1700 of 6872
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