Search
Add filters:
Use filters to refine the search results.
Item hits:
| 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 012 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.58621099; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 013 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.59720578; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 015 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.59385629; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 011 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.58843639; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/C2H4/phonopy 014 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -156.59722692; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 0006.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.42398418; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 0004.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.42402941; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 0004.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.42406137; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 0005.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.42396774; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CCH2/phonopy 0005.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -148.42390974; eV |
Results 97921-97930 of 100136 (Search time: 0.058 seconds).
Discover
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
- next >