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DOI: 10.19061/iochem-bd-6-34
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- ROOT
- B3LYP-D3(BJ)_BS1_optimized_structures
- B3LYP_BS1_optimized_structures
- B97D3_BS1_optimized_structures
- BP86-D3(BJ)_BS1_optimized_structures
- BP86_BS1_optimized_structures
- M062X_BS1_optimized_structures
- M06HF_BS1_optimized_structures
- M06L_BS1_optimized_structures
- M06_BS1_optimized_structures
- M11_BS1_optimized_structures
- PBE1PBE-D3(0)_BS1_optimized_structures
- PBE1PBE-D3(BJ)_BS1_optimized_structures
- PBE1PBE_BS1_optimized_structures
- TPSS_BS1_optimized_structures
- TPSSh_BS1_optimized_structures
- wB97XD_BS1_optimized_structures
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Subject
- 129 3+2 cycloaddition
- 129 Alkynes
- 129 Cluster compounds
- 129 DFT benchmarking
- 129 Reaction mechanisms
Program name
- 129 Gaussian
Calculation type