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DOI: 10.19061/iochem-bd-6-556
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Subject
- 504 Bond dissociation energies
- 504 C1
- 504 CCSD(T)
- 504 Electron affinities
- 504 Gas phase
- 504 Hydride affinities
- 504 Hydrocarbon
- 504 Ionization potentials
- 504 Methane
- 504 Proton affinities
Program name
- 504 Orca
Calculation type
Method
- 356 DFT
- 96 CCSD(T)
- 27 MP2
- 20 DLPNO-CCSD(T)
- 5 F12/RI-CCSD(T)