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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_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -343.16537315; eV | |||
 | 10-May-2017 | Pt-S2W-TS-H3COH-H3CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -343.23327223; eV | |||
 | 10-May-2017 | Pt-S5WR-H2CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -743.66006330; eV | |||
 | 10-May-2017 | Pd-CS-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex | Geometry optimization | - | - | -264.25098250; eV | |||
 | 10-May-2017 | Pd-CS-H2CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -264.53337735; eV | |||
 | 10-May-2017 | Pt-S2W-TS-H2COH-H2CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -343.40462327; eV | |||
 | 10-May-2017 | Pd-CS-TS-H3COH-H3CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -271.42247362; eV | |||
 | 10-May-2017 | Ru-CS-H2CO_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -447.06584777; eV | |||
 | 10-May-2017 | Ru-CS-H2CO_(vacuum) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -446.47231113; eV | |||
 | 10-May-2017 | Ru-CS-H_(solvated) | Garcia-Ratés, Miquel | vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex | Geometry optimization | - | - | -427.50912667; eV |
Results 1-10 of 137 (Search time: 0.002 seconds).