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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | methiozolin_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19373295; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19413837; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19255148; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18945506; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19295314; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18944759; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19442493; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19447982; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.19390547; Eh | |||
 | 18-Jan-2023 | methiozolin_CONF99_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1461.18168385; Eh |
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