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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/C2H4/phonopy 007 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.58111862; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 005 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.58862688; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCO/phonopy 0007.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -149.44187564; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 006 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.58661255; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 005 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41806648; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 003 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41966047; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 009 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41749165; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 011 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41605195; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 010 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41670579; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 007 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.41674828; 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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