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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 conf2a2_b-Au₂-cysteine_S-Au-Au-OOC-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.88984402; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf1a2_a-Au₂-cysteine_S-Au-Au-OOC-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.02164184; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a_b-Au₂-cysteine_S-Au-Au-OOC-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -509.93317548; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a2_a-Au₂-cysteine_S-Au-Au-OOC-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -510.96742999; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a_a-Au₂-cysteine_S-Au-Au-OOC-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -510.13666299; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_Au-S-Au conf4b2_b-Au₂-cysteine_S-Au-Au-S-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -511.35935770; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf8-2-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 | - | -434.05073585; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf6-2-Au-cysteine_S-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -434.04251590; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf6-2-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 | - | -434.25649141; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cysteine/Au-cysteine_S-Au conf8-2-Au-cysteine_S-Au-s3a | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -434.26151860; eV |
Results 103961-103970 of 104079 (Search time: 0.065 seconds).
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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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