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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Jun-2018H2O-MoO3-xRellán, Marcos; Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--1212.91939578; eV
thumbnail.jpeg22-Jun-2018/molecules ethanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--46.96693650; eV
thumbnail.jpeg22-Jun-2018/molecules acetolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--62.54915524; eV
thumbnail.jpeg22-Jun-2018/molecules H2ORellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--14.21918164; eV
thumbnail.jpeg22-Jun-2018/molecules 13_PropanediolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--70.05774833; eV
thumbnail.jpeg22-Jun-2018/molecules propen_2_olRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--55.54238333; eV
thumbnail.jpeg22-Jun-2018/molecules formaldehydeRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--22.13805845; eV
thumbnail.jpeg22-Jun-2018/molecules hydroxypropanalRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--62.08690912; eV
thumbnail.jpeg22-Jun-2018/molecules acetaldehydeRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--39.15772773; eV
thumbnail.jpeg22-Jun-2018/molecules 1_propanolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--63.55931049; eV
Results 1-10 of 26 (Search time: 0.0 seconds).