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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2024 | chloroimidazopyrazine+1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -854.09367692; Eh | |||
 | 31-Mar-2024 | chloroimidazopyrazine-1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -853.80227373; Eh | |||
 | 31-Mar-2024 | chloroimidazopyrazine-2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -853.26625704; Eh | |||
 | 31-Mar-2024 | chloroimidazopyrazine-0e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -854.09903573; Eh | |||
 | 31-Mar-2024 | chloroimidazopyrazine+0e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -854.09904796; Eh | |||
 | 31-Mar-2024 | (Toluene)K(NTMS2)2ZnCH2Ph+2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | - | |||
 | 4-Jan-2024 | 1-buten-3-ium+1e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -156.09085607; Eh | |||
 | 4-Jan-2024 | 1-buten-3-ium | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -155.83388124; Eh | |||
 | 31-Mar-2024 | DMSO-CPCM-2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -551.91111038; Eh | |||
 | 31-Mar-2024 | DMSO-CPCM-1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -552.29512386; Eh |
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- 84 Lewis acids