Browsing by Title
Showing results 20340 to 20359 of 20459
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Aug-2018 | /xps/Co_Cu3 115 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.04060352; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 116 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.55337014; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 117 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.60693032; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 118 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.65013895; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 119 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.55347350; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 120 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.74005930; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 121 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.67450736; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 122 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.56235344; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 123 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -907.87051369; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 124 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.56374073; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 125 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -906.98898655; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 126 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.38872263; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 127 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58563863; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 128 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58212002; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 129 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.51691969; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 130 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.43860196; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 131 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.54706528; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 132 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.57158762; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 133 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.58386728; eV | |||
| 22-Aug-2018 | /xps/Co_Cu3 134 | Li, Qiang | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -908.51163458; eV |