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Collection's Items (Sorted by Submit Date in Descending order): 1501 to 1520 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | imazalil_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10643519; Eh | |||
 | 28-Mar-2025 | imazalil_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10657554; Eh | |||
 | 28-Mar-2025 | imazalil_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10574874; Eh | |||
 | 28-Mar-2025 | imazalil_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10499913; Eh | |||
 | 28-Mar-2025 | imazalil_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10480153; Eh | |||
 | 28-Mar-2025 | imazalil_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10558770; Eh | |||
 | 28-Mar-2025 | imazalil_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10564460; Eh | |||
 | 28-Mar-2025 | imazalil_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10445212; Eh | |||
 | 28-Mar-2025 | imazalil_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10548546; Eh | |||
 | 28-Mar-2025 | imazalil_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10490474; Eh | |||
 | 28-Mar-2025 | imazalil_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10539002; Eh | |||
 | 28-Mar-2025 | imazalil_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10489753; Eh | |||
 | 28-Mar-2025 | imazalil_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10466596; Eh | |||
 | 28-Mar-2025 | imazalil_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10466496; Eh | |||
 | 28-Mar-2025 | imazalil_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10622139; Eh | |||
 | 28-Mar-2025 | imazalil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10654994; Eh | |||
 | 28-Mar-2025 | imazalil_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10565620; Eh | |||
 | 28-Mar-2025 | imazalil_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10523068; Eh | |||
 | 28-Mar-2025 | imazalil_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10573864; Eh | |||
 | 28-Mar-2025 | imazalil_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1647.10526383; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1501 to 1520 of 6872
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