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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO₂-In₄O₅-Pd-configurations CO₂-In₄O₅-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -562.33153099; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/CO₂-In₄O₅-Pd-configurations CO₂-In₄O₅-Pd-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -562.28433757; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.53245499; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.88290989; eV | |||
 | 2-May-2023 | /Adsorptions/In₄O₅-Pd/H₂-In₄O₅-Pd-configurations H₂-In₄O₅-Pd-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -547.66658451; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂ CO-In₆O₇-InPd₂ | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -523.36912703; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂ CO₂-In₆O₇-InPd₂ | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -530.81425228; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂ H₂-In₆O₇-InPd₂ | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -515.40163489; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -523.21469888; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.95778458; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.27432161; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.85445049; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf5 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.55874515; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO-In₆O₇-InPd₂ CO-In₆O₇-InPd₂-conf6 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -522.83695889; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO₂-In₆O₇-InPd₂ CO₂-In₆O₇-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -531.00583686; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/CO₂-In₆O₇-InPd₂ CO₂-In₆O₇-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -530.35152415; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/H₂-In₆O₇-InPd₂ H₂-In₆O₇-InPd₂-conf1 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -515.71905887; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/H₂-In₆O₇-InPd₂ H₂-In₆O₇-InPd₂-conf2 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -515.51990043; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/H₂-In₆O₇-InPd₂ H₂-In₆O₇-InPd₂-conf3 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -514.90558113; eV | |||
 | 2-May-2023 | /Adsorptions/In₆O₇-InPd₂/H₂-In₆O₇-InPd₂ H₂-In₆O₇-InPd₂-conf4 | Morales-Vidal, Jordi | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -515.66922363; eV |