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Collection's Items (Sorted by Submit Date in Descending order): 1561 to 1580 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imazalil_CONF66_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09825868; Eh | |||
 | 28-Mar-2025 | imazalil_CONF67_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09573874; Eh | |||
 | 28-Mar-2025 | imazalil_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09826288; Eh | |||
 | 28-Mar-2025 | imazalil_CONF70_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09667183; Eh | |||
 | 28-Mar-2025 | imazalil_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09661933; Eh | |||
 | 28-Mar-2025 | imazalil_CONF80_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09754690; Eh | |||
 | 28-Mar-2025 | imazalil_CONF82_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09792059; Eh | |||
 | 28-Mar-2025 | imazalil_CONF88_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09566090; Eh | |||
 | 28-Mar-2025 | imazalil_CONF89_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09831553; Eh | |||
 | 28-Mar-2025 | imazalil_CONF90_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09819791; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51069565; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51131965; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF100_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51084483; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF107_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51191610; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51006969; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF110_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51207111; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF118_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51249312; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF12_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51035272; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF125_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51259606; Eh | |||
 | 28-Mar-2025 | imibenconazole_cis_CONF126_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2653.51224340; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1561 to 1580 of 6872
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