1. Institute of Chemical Research of Catalonia

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Showing results 3491 to 3510 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf20Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.85219046; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf22Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.83907603; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.81238149; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.85426899; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.84629645; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.31431384; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf7Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.84854528; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf8Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.84020301; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/CO₂-Zn₅Cu₈-configurations CO₂-Zn₅Cu₈-conf9Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--237.84572898; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.15621757; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf10Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.54149182; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf11Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.22574345; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.45024697; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.53049172; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.35137560; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.57106033; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.40490809; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf7Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.34873952; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf8Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.34077583; eV
thumbnail.jpeg6-Sep-2023/Adsorptions/Zn₅Cu₈/HCOO-Zn₅Cu₈-configurations HCOO-Zn₅Cu₈-conf9Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--245.52753259; eV
Showing results 3491 to 3510 of 63047 < previous   next >