Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Feb-2018 | Pd_TS-3Cto4C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Improved Dimer Method | - | - | -626.20438050; eV | ||||
22-Feb-2018 | Pd_TS-2Hto3H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Improved Dimer Method | - | - | -625.67787695; eV | ||||
22-Feb-2018 | Pd_TS-1to2H | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Improved Dimer Method | - | - | -625.23146634; eV | ||||
22-Feb-2018 | Pd_TS-1to2C | Project, POROUSforAPP | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Improved Dimer Method | - | - | -624.77633261; eV | ||||
6-Nov-2023 | /ag_metal_electrode/transition_state/at_C/one_water one_water | Ciotti, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Improved Dimer Method | DFT | - | -212.04861262; eV | ||||
20-Feb-2024 | NH_cleavage | Brennan, Kevin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only | Improved Dimer Method | DFT | - | -792.48794068; eV | ||||
20-Feb-2024 | NH_cleavage | Brennan, Kevin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 16 2019 13:19:51) gamma-only | Improved Dimer Method | DFT | - | -790.85473423; eV |
Results 1-7 of 7 (Search time: 0.002 seconds).
Discover
Subject
Method
- 3 DFT