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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2024 | chlorobutane | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -617.24083398; 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 | (Toluene)K(NTMS2)2ZnCH2Ph-1e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4662.16384758; Eh | |||
| 31-Mar-2024 | (Toluene)K(NTMS2)2ZnCH2Ph | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4662.38245724; Eh | |||
| 31-Mar-2024 | (Toluene)K(NTMS2)2ZnCH2Ph-2e | Mulks, Florian | Orca; 5.0.4; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -4661.75036459; Eh |
Results 81-86 of 86 (Search time: 0.001 seconds).
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- 86 Acidity
- 86 Basicity
- 86 Concept
- 86 HSAB
- 86 Lewis acids
- 84 Reactivity
- 2 DFT