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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy/008 008 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.16574641; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy/003 003 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.16777327; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy/001 001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.16557154; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0014_001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17737395; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0013_001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17750579; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0015_001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17689605; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0014_002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17713912; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0015_002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17654867; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0012_001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17869591; eV | |||
 | 2-Feb-2026 | /Cu/phonopy_simulation/c1/CH2OH/phonopy 0011_002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17890464; eV |
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Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
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