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DOI: 10.19061/iochem-bd-6-533
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Subject
- 506 Bond dissociation energy
- 506 DLPNO-CCSD(T)
- 506 Electron affinity
- 506 Hydride ion affinity
- 506 Ionization potential
- 506 Lewis acids
- 506 Proton affinity
- 422 Acidity
- 84 Lewis base
- 84 Methane
Program name
- 3445 Orca
Calculation type
Method
- 2492 DFT
- 537 CCSD(T)
- 216 MP2
- 160 DLPNO-CCSD(T)
- 40 F12/RI-CCSD(T)