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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-0e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -854.09903573; Eh | |||
| 31-Mar-2024 | nitrobenzene_protonated | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -435.94029002; Eh | |||
| 31-Mar-2024 | DMSO-CPCM-1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -552.29512386; Eh | |||
| 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 | chlorobutene+1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -615.95117654; Eh | |||
| 31-Mar-2024 | chlorobutane | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -617.24083398; Eh | |||
| 31-Mar-2024 | phenol | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -306.62677503; Eh | |||
| 21-Apr-2024 | 2-CO_SP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -2095.28172928; Eh | |||
| 21-Apr-2024 | 5_SP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | -1981.90856872; Eh | |||
| 21-Apr-2024 | 3-CO_SP | von Wolff, Niklas | Orca; 4.2.1; RELEASE | Single point | RKS | def2-TZVPP; def2-tzvpp/c | - |
Results 81431-81440 of 81456 (Search time: 0.063 seconds).
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- 253 Lewis acids
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- 238 cannabinoid
- 238 THC
- 168 Silver
- 168 Tautomerism
- 161 Carbocations
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