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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 2-Jul-2025 | /Defects_222/vsn/V_Sn+1 V_Sn+1 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | - | |||
![]() | 2-Jul-2025 | /Defects_222/vpea vpea | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | - | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/chem_pot/H2O H2O | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -14.68040059; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/SnI2 SnI2 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -651.78006881; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/PEAI PEAI | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -166.65062134; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/SnI4 SnI4 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -180.98905830; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/PEA PEA | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -125.61322716; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/H2O H2O | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -14.68040059; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/HI HI | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -315.69552089; eV | |||
![]() | 2-Jul-2025 | /scan/chem_pot_scan/I2 I2 | Benzidi, Hind | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -40.54244772; eV |
Results 93971-93980 of 94148 (Search time: 0.055 seconds).
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Subject
- 10601 Heterogeneous catalysis
- 9523 Adsorption
- 9253 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 N-Oxides
- 4163 Electrochemical CO₂ reduction
- 3760 Copper
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