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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2024 | DMSO-CPCM | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -552.52024031; Eh | |||
 | 31-Mar-2024 | chlorobutane+1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -617.15691413; Eh | |||
 | 31-Mar-2024 | chlorobutene+2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -615.70935650; Eh | |||
 | 31-Mar-2024 | chlorobutane+2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -616.92922945; Eh | |||
 | 31-Mar-2024 | chlorobutane | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -617.24083398; Eh | |||
 | 4-Jan-2024 | PMDETA-2e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -518.63907798; Eh | |||
 | 4-Jan-2024 | pentenone+2e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -269.50364849; Eh | |||
 | 4-Jan-2024 | phenolate-1e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -305.99903443; Eh | |||
 | 4-Jan-2024 | PMDETA-1e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -519.15664865; Eh | |||
 | 4-Jan-2024 | pyridine-1e | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -247.24411183; Eh |
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- 84 Lewis acids