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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 020 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23500383; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 015 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23365155; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 019 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23496916; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCOH/phonopy 013 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.23447132; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0014.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.93038547; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0013.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.93037391; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0017.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.92857754; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0015.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.92926995; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0014.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.93009647; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2CHO/phonopy 0013.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -160.93012529; 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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