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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b_b-Au₂-cysteine_S-Au-Au-OOC-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -510.26384011; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf7-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.48425332; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf9-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.15760823; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf0-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.31409017; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf2-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -434.12471134; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf8-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.37413180; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf4-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -432.35447642; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf5-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -433.66303636; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_COO-Au conf1-Au-cysteine_COO-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -434.31106127; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf7-2-Au-cysteine_S-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -433.81038376; eV |
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- 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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