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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Dec-2016 | /ts 01_13_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -663.39267105; eV | ||||
1-Dec-2016 | /ts 26_33_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -652.46951180; eV | ||||
1-Dec-2016 | /ts 25_32_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -659.64162877; eV | ||||
1-Dec-2016 | /ts 26_15_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -652.58974184; eV | ||||
1-Dec-2016 | /ts 26_14_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -652.07457892; eV | ||||
1-Dec-2016 | /ts 31_32_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -671.06036924; eV | ||||
1-Dec-2016 | /ts 26_29_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -653.08188147; eV | ||||
1-Dec-2016 | /ts 33_27_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -656.69235969; eV | ||||
1-Dec-2016 | /ts 01_12_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -663.19828337; eV | ||||
1-Dec-2016 | /ts 26_26_i | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Single point | - | - | -649.23293480; eV |
Results 11-20 of 304 (Search time: 0.002 seconds).