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Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imazalil_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10548827; Eh | |||
 | 28-Mar-2025 | imazalil_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10807539; Eh | |||
 | 28-Mar-2025 | imazalil_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10514565; Eh | |||
 | 28-Mar-2025 | imazalil_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10759194; Eh | |||
 | 28-Mar-2025 | imazalil_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10589192; Eh | |||
 | 28-Mar-2025 | imazalil_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10580282; Eh | |||
 | 28-Mar-2025 | imazalil_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10812345; Eh | |||
 | 28-Mar-2025 | imazalil_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10806470; Eh | |||
 | 28-Mar-2025 | imazalil_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10502185; Eh | |||
 | 28-Mar-2025 | imazalil_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10620813; Eh | |||
 | 28-Mar-2025 | imazalil_CONF106_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09584403; Eh | |||
 | 28-Mar-2025 | imazalil_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09592092; Eh | |||
 | 28-Mar-2025 | imazalil_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09760705; Eh | |||
 | 28-Mar-2025 | imazalil_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09694946; Eh | |||
 | 28-Mar-2025 | imazalil_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09847949; Eh | |||
 | 28-Mar-2025 | imazalil_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09729996; Eh | |||
 | 28-Mar-2025 | imazalil_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09807268; Eh | |||
 | 28-Mar-2025 | imazalil_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09639467; Eh | |||
 | 28-Mar-2025 | imazalil_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09564251; Eh | |||
 | 28-Mar-2025 | imazalil_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.09700939; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 6872
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