Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2017 | Ru-3-43 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -350.25489858; eV | |||
 | 29-Feb-2016 | Scan3b-trans-trans | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-31G* | -3792.33212967; Eh | |||
 | 28-Nov-2017 | ss-OsCu-0111 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -427.48476826; eV | |||
 | 2-Nov-2017 | Pd-ECN_a | Fako, Edvin | vasp; 5.4.4; 47Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | - | - | -1981.27824587; eV | |||
 | 3-Nov-2017 | Pd-ECN_TS4 | Fako, Edvin | vasp; 5.4.4; 39Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -2051.39311195; eV | |||
 | 17-Oct-2017 | /reactions/niru ts_b12 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -701.07851303; eV | |||
 | 17-Oct-2017 | /reactions/niru ts_b02 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -699.39596606; eV | |||
 | 17-Oct-2017 | /reactions/niru ts_a16 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -598.08026062; eV | |||
 | 17-Oct-2017 | /reactions/niru ts_b15 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -597.85940706; eV | |||
 | 17-Oct-2017 | /reactions/niru ts_a21 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Single point | - | - | -538.93350832; eV |
Results 1-10 of 58550 (Search time: 0.002 seconds).
Discover
Subject