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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-6-627

This dataset derived results are published in:

Manuscript title: Phosphoryl Radicals from Trivalent Iminyl Phosphines: A Photocatalytic Approach to N-Phosphoryl Azetidines

Journal: Angew. Chem. Int. Ed.

DOI: 10.1002/anie.9986925

View as: Tree List

ROOT
- 24-38H+_complex
  - optimisation-frequencies
- 29•+-38_complex
  - optimisation-frequencies
- 29•+
  - conformational_exploration
  - optimisation-frequencies
- 32
  - conformational_exploration
- Int-1
  - beta-dissociation-tests
  - optimisation-frequencies
- Int-2-19_complex
  - optimisation-frequencies_generation_from_Int-1
- Int-2-water_complex
  - optimisation-frequencies
- Int-2
  - charges
  - optimisation-frequencies
- Int-3
  - optimisation-frequencies_conformational_exploration
- Int-4
  - optimisation-frequencies_conformational_exploration
- TS1
  - IRC
  - IRC_toInt-1
  - IRC_toInt-2-19_complex
  - TS1_search_qst
- TS2
  - IRC
  - IRC_to_Int-1
  - ORCA_wB97XD3-gas_optimisation-frequencies_of_Int-1
  - ORCA_wB97XD3-gas_optimisation-frequencies_of_Int-2-19_complex
  - TS2_search_fromCI-NEB
  - displ_vibration_toInt-2-19_complex
- TS3
  - IRC
  - IRC_to24-32_complex
  - IRC_toInt-3
  - TS3_search_fromInt-3_ts
- Triplets_and_Bond_Dissociation_Energies

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