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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-May-2023 | 7_Bipy_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -798.08401948; Eh | |||
 | 3-May-2023 | 7_DMAP_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -685.68340228; Eh | |||
 | 3-May-2023 | DIDMAP_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -684.95459089; Eh | |||
 | 3-May-2023 | DIBipy_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -797.41539178; Eh | |||
 | 3-May-2023 | DMAP_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -379.92293495; Eh | |||
 | 3-May-2023 | hydride_gas_ex34_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVQZ/C | -0.48763959; Eh | |||
 | 3-May-2023 | 6_OTf_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -1363.27061102; Eh | |||
 | 3-May-2023 | DIBipy_MeCN_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -797.43664408; Eh | |||
 | 3-May-2023 | A2-TS_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -798.52819983; Eh | |||
 | 3-May-2023 | Bipy_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | aug-cc-pVTZ; aug-cc-pVTZ/C | -492.40869343; Eh |
Results 91-100 of 126 (Search time: 0.001 seconds).
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Subject
- 126 Amides
- 126 Dications
- 126 Lewis acids
- 120 Carbocations
- 6 Carbodications
- 6 Cations
- 6 Organic chemistry
Method
- 109 DLPNO-CCSD(T)
- 11 DFT