- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /2,4-TDA_to_MC2 2,4-TDA_ads_p | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1296.72095034; eV | ||
 | /2,4-TDA_to_MC2 2,4-TDA_diss_p | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1296.21956558; eV | ||
 | /2,4-TDA_to_MC2 TS1 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1296.18945490; eV | ||
 | /2,4-TDA_to_MC1 2,4-TDA_ads_o | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1296.69154900; eV | ||
 | /2,4-TDA_to_MC1 2,4-TDA_diss_o | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | DFT | - | -1296.18389268; eV | ||
 | /2,4-TDA_to_MC1 TS1 | Rellán, Marcos | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | DFT | - | -1296.17765033; eV |
Results 1-6 of 6 (Search time: 0.002 seconds).