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. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Jul-2017 | /surfaces In2O3(111)_Ovac1 | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1087.24742402; eV | ||||
20-Jul-2017 | /C2H2_activation 111_C2H2_chem | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1119.24729808; eV | ||||
20-Jul-2017 | /C2H2_activation 111_Ovac_C2H2_phys | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1111.23630657; eV | ||||
20-Jul-2017 | /C2H2_activation 111_Ovac_C2H2_chem | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1112.48798172; eV | ||||
20-Jul-2017 | /H2_activation 111_adIn_InH-OH | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1105.44752190; eV | ||||
20-Jul-2017 | /H2_activation 111_adIn_2xOH | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1106.73826407; eV | ||||
20-Jul-2017 | /H2_activation 111_Ovac_2xOH | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1096.18440432; eV | ||||
20-Jul-2017 | /H2_activation 111_2xOH | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1104.20202704; eV | ||||
20-Jul-2017 | /C2H2_activation 111_C2H2_phys | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1117.99139020; eV | ||||
20-Jul-2017 | /H2_activation 111_InH-OH | Capdevila-Cortada, Marçal | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Geometry optimization | - | - | -1101.84560757; eV |
Results 1-10 of 69 (Search time: 0.001 seconds).