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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018C-1PPhMe2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--624.41896387; eV
thumbnail.jpeg26-Mar-2018C-PMe3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--571.02690655; eV
thumbnail.jpeg26-Mar-2018TS-A1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--631.68001485; eV
thumbnail.jpeg26-Mar-2018PPhMe2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--118.16671015; eV
thumbnail.jpeg26-Mar-2018A1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--632.14220602; eV
thumbnail.jpeg26-Mar-2018A2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--632.82571537; eV
thumbnail.jpeg26-Mar-2018A5Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--567.31843458; eV
thumbnail.jpeg26-Mar-2018AOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--502.71135114; eV
thumbnail.jpeg26-Mar-2018C-6x6-2POrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--1205.28387410; eV
thumbnail.jpeg26-Mar-2018A1cOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--632.15490732; eV
Results 11-20 of 226 (Search time: 0.002 seconds).