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DOI: 10.19061/iochem-bd-6-400
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- ROOT
- CCSD(T)
- cc-pVQZ
- singlet
- triplet
- cc-pVTZ
- singlet
- triplet
- cc-pVQZ
- DFT
- singlet
- triplet
- TD_DFT
- singlet
- triplet
- CCSD(T)
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Program name
- 50 Gaussian
Calculation type