NC_proximity_effects_TEM
CC-BY-4.0
The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-282
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-282
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Ru_4xN6_Ru_4xN6_4_92_05 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1967.11154327; eV | ||
 | Ru_4xN6_Ru_4xN6_7_38_18 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1966.93301289; eV | ||
 | Ru_4xN6_Ru_4xN6_8_61_29 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1967.14680978; eV | ||
 | Pd-4xN6-Ni-4xN6-5.64_09 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.76955914; eV | ||
 | pristine-3xN6-Ni-4xN6-3.55_01 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1965.97140318; eV | ||
 | pristine-3xN6-Ni-4xN6-3.95_02 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1966.60950333; eV | ||
 | Pd-4xN6-Ni-4xN6-5.64_10 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.77408829; eV | ||
 | Pd-4xN6-Ni-4xN6-6.15_11 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.45626779; eV | ||
 | Pd-4xN6-Ni-4xN6-6.39_12 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.30643273; eV | ||
 | Pd-4xN6-Ni-4xN6-6.51_13 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.67892628; eV | ||
 | Pd-4xN6-Ni-4xN6-6.51_14 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.16358774; eV | ||
 | Pd-4xN6-Ni-4xN6-6.51_15 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.49493695; eV | ||
 | Pd-4xN6-Ni-4xN6-6.85_16 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | DFT | - | -1962.80177521; eV | ||
 | pristine-3xN6-Ni-4xN6-4.31_03 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1966.72128824; eV | ||
 | pristine-3xN6-Ni-4xN6-4.65_04 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1967.18365717; eV | ||
 | pristine-3xN6-Ni-4xN6-4.97_05 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1967.15266062; eV | ||
 | pristine-3xN6-Ni-4xN6-4.97_06 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1967.43310153; eV | ||
 | pristine-3xN6-Ni-4xN6-5.54_07 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1967.00946611; eV | ||
 | pristine-3xN6-Ni-4xN6-5.81_08 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1971.87070793; eV | ||
 | pristine-3xN6-Ni-4xN6-6.06_09 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1966.86864410; eV |
Collection's Items (Sorted by in order): 1 to 20 of 820
