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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/024 024 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17051145; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0004.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23739810; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0005.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.24413566; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0006.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23839261; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0008.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.24360958; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0006.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23774890; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0005.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23731386; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0007.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23803807; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0007.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23758791; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 0004.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23836634; eV |
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- 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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