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/CH2OH/phonopy 0006.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17922721; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CH2OH/phonopy 030 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.17075660; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0011.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.86301173; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0011.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.86437181; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0012.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87080528; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0010.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87052958; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0008.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87296979; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0012.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87147551; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0009.002 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87286226; eV | |||
 | 5-Feb-2026 | /Cu/Theoretical Raman spectroscopy/CHCO/phonopy 0009.001 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -152.87275831; eV |
Results 98971-98980 of 100136 (Search time: 0.047 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 >