Search
Add filters:
Use filters to refine the search results.
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-cystine/Au-cystine_S-Au conf10-2-Au-cystine_S-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -510.71439646; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au-cystine/Au-cystine_S-Au conf11-2-Au-cystine_S-Au-s3b | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Geometry optimization | DFT | - | -510.70635386; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_COO-Au-Au-OOC conf3a2_a-Au₂-cysteine_COO-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 | - | -510.35308771; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_COO-Au-Au-OOC conf3a2_b-Au₂-cysteine_COO-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 | - | -509.66242519; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b2_a-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 | - | -511.13302187; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a2_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 | - | -509.96578375; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a_a-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 | - | -510.14780454; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2a_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 | - | -511.22586833; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b2_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 | - | -511.26938546; eV | |||
| 24-Jul-2026 | /Auₓ-chiral_inducers_deposition/Au₂-cystine/Au₂-cystine_S-Au-Au-OOC conf2b_a-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 | - | -509.75769247; eV |
Results 104011-104020 of 104079 (Search time: 0.063 seconds).
Discover
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
- next >