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Collection hits:
| Collection Name |
|---|
| C(sp2)–H Arylation |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf12-2-Au-cysteine_COO-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.14170521; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf10-2-Au-cysteine_COO-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -433.72516445; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf11-2-Au-cysteine_COO-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -433.95879579; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf9-2-Au-cysteine_COO-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -434.04905463; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf8-2-Au-cysteine_COO-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.92146444; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cystine/Au-cystine-COO-Au conf1-Au-cystine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.54868602; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cystine/Au-cystine-COO-Au conf0-Au-cystine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.18127459; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cystine/Au-cystine-COO-Au conf2-Au-cystine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.84514210; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cystine/Au-cystine-COO-Au conf3-Au-cystine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.78457730; eV |
Results 103811-103820 of 104079 (Search time: 0.061 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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