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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/CCO/phonopy 010 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43478797; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 008 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43480181; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 012 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.42297164; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 013 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43652062; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 014 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43565945; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 015 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43653538; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 016 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.43563637; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 011 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.42078877; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0007.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87229219; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0007.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87251763; 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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