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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-May-2017 | Pt-S2W-TS-H3CO-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -342.28046760; eV | ||||
10-May-2017 | Pt-S2W-TS-H2COH-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -342.51032491; eV | ||||
10-May-2017 | Pd-S2W-TS-H2COH-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -301.04516066; eV | ||||
10-May-2017 | Ru-CS-TS-H3COH-H2COH_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -453.25312001; eV | ||||
10-May-2017 | Ru-CS-TS-H3COH-H3CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -453.19717424; eV | ||||
10-May-2017 | Ru-CS-TS-H3CO-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -449.81209625; eV | ||||
10-May-2017 | Pt-S5WR-TS-H2COH-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -740.56233848; eV | ||||
10-May-2017 | Ru-S2W-TS-H3COH-H2COH_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -483.21454623; eV | ||||
10-May-2017 | Ru-S2W-TS-H3CO-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -483.89909019; eV |
Results 1-9 of 9 (Search time: 0.001 seconds).