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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-663
This dataset derived results are published in:
Manuscript title: Phosphorus-based red light photoredox catalysis
View as:
- ROOT
- 1a
- b3lyp_631g
- ex
- opt_freq_gs
- opt_freq_triplet
- wb97md4_def2tzvp
- dm_aniline_complex
- ex
- opt_freq_gs
- opt_freq_triplet
- ex
- opt_freq_gs
- opt_freq_triplet
- dm_aniline_complex
- b3lyp_631g
- 1aa
- b3lyp_631g
- ex
- opt_freq_gs
- opt_freq_triplet
- wb97md4_def2tzvp
- ex
- opt_freq_gs
- opt_freq_triplet
- b3lyp_631g
- 1g
- dm_aniline_complex
- ex
- opt_freq_gs
- opt_freq_triplet
- ex
- opt_freq_gs
- opt_freq_triplet
- dm_aniline_complex
- 1h
- dm_aniline_complex
- ex
- opt_freq_gs
- opt_freq_triplet
- ex
- opt_freq_gs
- opt_freq_triplet
- dm_aniline_complex
- 1j
- ex
- opt_freq_gs
- opt_freq_triplet
- 1k
- ex
- opt_freq_gs
- opt_freq_triplet
- 1l
- ex
- opt_freq_gs
- opt_freq_triplet
- dm_aniline
- opt_freq_gs
- 1a
Discover
Program name
- 37 Orca
Calculation type