Browsing by Author Rojas, Tomas
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| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Extended Data Figure 10b | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2TZVP | -3211.2164925; Eh | ||
 | Figure 4f | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | -1423.28981274; eV | ||
 | Figure 4g i | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - | ||
 | Figure 4g ii (Figure 4h) | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - | ||
 | Figure 4g iii | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - | ||
 | Figure 4g iv (Figure 4i) | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - | ||
 | Figure 4g v | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - | ||
 | Figure 4g vi | Dandu, Naveen; Rojas, Tomas; Ngo, Anh; Hla, Saw-Wai | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 07 2017 12:30:28) gamma-only | DFT | - | - |
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